(S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid
TL;DR: (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid (CAS 957006-36-9) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic acid
Also Known As: (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid, N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}-L-leucine, 4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic Acid, (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic acid
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.6891 |
| Topological Polar Surface Area | 96.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 1083.4773 |
Chemical Identifiers
| CAS Number | 957006-36-9 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid (CAS 957006-36-9), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic acid.
Chemical Property Profile of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid
Property Insights of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid
The XLogP value of 3.6891 indicates that (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic 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)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid. Following Lipinski's Rule of Five, (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic 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)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid?
The CAS number of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid is 957006-36-9.
What is the molecular formula of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid?
The molecular formula of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid is C22H21NO5.
What is the molecular weight of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid?
The molecular weight of (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid is 379.14 g/mol.
Where can I buy (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid?
You can request a quote for (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-methyl-2-(3-(2-oxo-2H-chromen-3-yl)benzamido)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.