7-Methoxycoumarin-4-acetic acid
TL;DR: 7-Methoxycoumarin-4-acetic acid (CAS 62935-72-2) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-methoxy-2-oxochromen-4-yl)acetic acid
Also Known As: 7-Methoxycoumarin-4-acetic acid, 2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid, Mca-OH, H-Mca-OH, 2-Aminoheptanedioicacid
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 62935-72-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O |
| InChIKey | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methoxycoumarin-4-acetic acid (CAS 62935-72-2), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid.
Chemical Property Profile of 7-Methoxycoumarin-4-acetic acid
Property Insights of 7-Methoxycoumarin-4-acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxycoumarin-4-acetic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxycoumarin-4-acetic acid. Following Lipinski's Rule of Five, 7-Methoxycoumarin-4-acetic acid has 1 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 7-Methoxycoumarin-4-acetic acid?
The CAS number of 7-Methoxycoumarin-4-acetic acid is 62935-72-2.
What is the molecular formula of 7-Methoxycoumarin-4-acetic acid?
The molecular formula of 7-Methoxycoumarin-4-acetic acid is C12H10O5.
What is the molecular weight of 7-Methoxycoumarin-4-acetic acid?
The molecular weight of 7-Methoxycoumarin-4-acetic acid is 234.05 g/mol.
Where can I buy 7-Methoxycoumarin-4-acetic acid?
You can request a quote for 7-Methoxycoumarin-4-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxycoumarin-4-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxycoumarin-4-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.