(S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid
TL;DR: (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid (CAS 956979-30-9) is a chemical compound with molecular formula C18H20ClNO6 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylpentanoic acid
Also Known As: (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid, (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylpentanoic acid, 2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methyl-pentanoic Acid
| Molecular Formula | C18H20ClNO6 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 2.61842 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.0979 |
| Heavy Atoms | 26 |
| Complexity | 918.01776 |
Chemical Identifiers
| CAS Number | 956979-30-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N[C@@H](CC(C)C)C(=O)O |
Product Overview
(S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid (CAS 956979-30-9), with molecular formula C18H20ClNO6 and molecular weight 381.10 g/mol. IUPAC: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid
Property Insights of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid
The XLogP value of 2.61842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid has 3 hydrogen bond donor(s) and 5 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)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid?
The CAS number of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid is 956979-30-9.
What is the molecular formula of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid?
The molecular formula of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid is C18H20ClNO6.
What is the molecular weight of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid?
The molecular weight of (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid is 381.10 g/mol.
Where can I buy (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid?
You can request a quote for (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.