3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid
TL;DR: 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid (CAS 859858-07-4) 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.
3-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
Also Known As: 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid, 3-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic Acid, 3-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid, N-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-beta-alanine
| Molecular Formula | C16H16ClNO6 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 1.98392 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.06662 |
| Heavy Atoms | 24 |
| Complexity | 857.74695 |
Chemical Identifiers
| CAS Number | 859858-07-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCCC(=O)O |
Product Overview
3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid (CAS 859858-07-4), with molecular formula C16H16ClNO6 and molecular weight 353.07 g/mol. IUPAC: 3-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid.
Chemical Property Profile of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid
Property Insights of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid
The XLogP value of 1.98392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)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 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid?
The CAS number of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid is 859858-07-4.
What is the molecular formula of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid?
The molecular formula of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid is C16H16ClNO6.
What is the molecular weight of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid?
The molecular weight of 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid is 353.07 g/mol.
Where can I buy 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid?
You can request a quote for 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.