![(2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid structure](/static/products/100/1008697-35-5.png)
(2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
TL;DR: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid (CAS 1008697-35-5) is a chemical compound with molecular formula C16H16ClNO6 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
Also Known As: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid, 2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic Acid
| Molecular Formula | C16H16ClNO6 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 1.98232 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.06662 |
| Heavy Atoms | 24 |
| Complexity | 872.9772 |
Chemical Identifiers
| CAS Number | 1008697-35-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)N[C@@H](C)C(=O)O |
Product Overview
(2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid (CAS 1008697-35-5), with molecular formula C16H16ClNO6 and molecular weight 353.07 g/mol. IUPAC: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid.
Chemical Property Profile of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
Property Insights of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
The XLogP value of 1.98232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic 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 (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid?
The CAS number of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid is 1008697-35-5.
What is the molecular formula of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid?
The molecular formula of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid is C16H16ClNO6.
What is the molecular weight of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid?
The molecular weight of (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid is 353.07 g/mol.
Where can I buy (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid?
You can request a quote for (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.