Asolution Pharmaceuticals Pvt Ltd | 1428243-27-9 | Related Intermediates | Manufacturers & Suppliers

1428243-27-9

Chemistry, 1 End Use API, 28 Related Intermediates

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1 Suppliers

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Also known as: 1428243-27-9, Xaj442my8s, Schembl14791218, Bfrdsfzfzqjxhn-vpusjebwsa-n, Dtxsid801098880, (3r,4s)-benzyl 3-(2-(tert-butoxycarbonyl(5-tosyl-5h-pyrrolo[2,3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate

Molecular Formula

C₃₄H₃₉N₅O₇S

Molecular Weight

661.8 g/mol

InChI Key

BFRDSFZFZQJXHN-VPUSJEBWSA-N

FDA UNII

XAJ442MY8S

1 2D Structure

1428243-27-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (3S,4R)-3-ethyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]pyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C34H39N5O7S/c1-6-25-19-37(32(41)45-22-24-10-8-7-9-11-24)20-27(25)29(40)21-38(33(42)46-34(3,4)5)30-18-35-31-28(36-30)16-17-39(31)47(43,44)26-14-12-23(2)13-15-26/h7-18,25,27H,6,19-22H2,1-5H3/t25-,27+/m1/s1

2.1.3 InChI Key

BFRDSFZFZQJXHN-VPUSJEBWSA-N

2.1.4 Canonical SMILES

CCC1CN(CC1C(=O)CN(C2=CN=C3C(=N2)C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C)C(=O)OCC5=CC=CC=C5

2.1.5 Isomeric SMILES

CC[C@@H]1CN(C[C@@H]1C(=O)CN(C2=CN=C3C(=N2)C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C)C(=O)OCC5=CC=CC=C5

2.2 Other Identifiers

2.2.1 UNII

XAJ442MY8S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1428243-27-9

2. Xaj442my8s

3. Schembl14791218

4. Bfrdsfzfzqjxhn-vpusjebwsa-n

5. Dtxsid801098880

6. (3r,4s)-benzyl 3-(2-(tert-butoxycarbonyl(5-tosyl-5h-pyrrolo[2,3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate

7. Benzyl (3r,4s)-3-(n-(tert-butoxycarbonyl)-n-(5-tosyl-5h-pyrrolo[2,3-b]pyrazin-2-yl)glycyl)-4-ethylpyrrolidine-1-carboxylate

8. Phenylmethyl (3r,4s)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate

2.4 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₉N₅O₇S
Molecular Weight	661.8 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	149
Heavy Atom Count	47
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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ASolution Pharmaceuticals

ASolution Pharmaceuticals: Your Partner for cGMP Development & Manufacturing Services – Supplying APIs, FDFs, and Specialty Molecules.

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India

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CAS Number

5034-06-0

End Use API

Upadacitinib

About the Company

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, reg...

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, regardless of scale. We prioritize integrity, responsiveness, and punctuality, embedding our values into every endeavor. Our aim is to cultivate mutually beneficial relationships with customers, suppliers, and ourselves, fostering sustainable growth. Empowered by visionary leadership and a quality-driven team, ASolution is steadfast in providing innovative solutions to challenges such as Process Development, Optimization, Drug Product and Substance Manufacturing, and more.