CAS 1369768-29-5 manufacturers and suppliers on PharmaCompass

CAS 1369768-29-5

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

Contact Supplier

Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 3 Related Intermediates

2 Suppliers
2 End Use APIs
3 Related Intermediates

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: Schembl2118783, 1,2-yclopropanedimethanl, 1-(3-luorophenyl)-, 2-cetate, (1s,2r)-, 1369768-29-5

Molecular Formula

C₁₃H₁₅FO₃

Molecular Weight

238.25 g/mol

InChI Key

VXNBTSLXRMFPQE-WCQYABFASA-N

CAS 1369768-29-5

1 2D Structure

CAS 1369768-29-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2S)-2-(3-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]methyl acetate

2.1.2 InChI

InChI=1S/C13H15FO3/c1-9(16)17-7-11-6-13(11,8-15)10-3-2-4-12(14)5-10/h2-5,11,15H,6-8H2,1H3/t11-,13+/m0/s1

2.1.3 InChI Key

VXNBTSLXRMFPQE-WCQYABFASA-N

2.1.4 Canonical SMILES

CC(=O)OCC1CC1(CO)C2=CC(=CC=C2)F

2.1.5 Isomeric SMILES

CC(=O)OC[C@@H]1C[C@@]1(CO)C2=CC(=CC=C2)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl2118783

2. 1,2-yclopropanedimethanl, 1-(3-luorophenyl)-, 2-cetate, (1s,2r)-

3. 1369768-29-5

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅FO₃
Molecular Weight	238.25 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.5
Heavy Atom Count	17
Formal Charge	0
Complexity	294
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

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