(S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid
TL;DR: (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid (CAS 956399-30-7) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid
Also Known As: (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid, N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}-L-valine, 3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic Acid, (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.299 |
| Topological Polar Surface Area | 96.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 1067.3551 |
Chemical Identifiers
| CAS Number | 956399-30-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid (CAS 956399-30-7), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid.
Chemical Property Profile of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid
Property Insights of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid
The XLogP value of 3.299 indicates that (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid. Following Lipinski's Rule of Five, (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid?
The CAS number of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid is 956399-30-7.
What is the molecular formula of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid?
The molecular formula of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid is C21H19NO5.
What is the molecular weight of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid?
The molecular weight of (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid is 365.13 g/mol.
Where can I buy (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid?
You can request a quote for (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.