CAS 21269-13-6 manufacturers and suppliers on PharmaCompass

CAS 21269-13-6

Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

Contact Supplier

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs

1 Suppliers
1 End Use APIs

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Click the button for full data set

Also known as: 21269-13-6, Einecs 244-306-4, (16beta)-21-acetyloxy-2'-methylpregnano[17,16-d]oxazol-4-ene-3,20-dione

Molecular Formula

C₂₅H₃₃NO₅

Molecular Weight

427.5 g/mol

InChI Key

VVMRUTPNARVFIR-WFTCPIGBSA-N

CAS 21269-13-6

1 2D Structure

CAS 21269-13-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-oxo-2-[(1R,2S,4R,8S,9S,12S,13R)-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,17-dien-8-yl]ethyl] acetate

2.1.2 InChI

InChI=1S/C25H33NO5/c1-14-26-25(21(29)13-30-15(2)27)22(31-14)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h11,18-20,22H,5-10,12-13H2,1-4H3/t18-,19+,20+,22-,23+,24+,25-/m1/s1

2.1.3 InChI Key

VVMRUTPNARVFIR-WFTCPIGBSA-N

2.1.4 Canonical SMILES

CC1=NC2(C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)C(=O)COC(=O)C

2.1.5 Isomeric SMILES

CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)C(=O)COC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 21269-13-6

2. Einecs 244-306-4

3. (16beta)-21-acetyloxy-2'-methylpregnano[17,16-d]oxazol-4-ene-3,20-dione

2.3 Create Date

2015-12-11

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₃NO₅
Molecular Weight	427.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	427.23587315 g/mol
Monoisotopic Mass	427.23587315 g/mol
Topological Polar Surface Area	82 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	921
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

Only 10 entries up to this point, click to access all

END USE APIs

Market Place

Home

Menu

Post Enquiry

Market Place

Search