3-Hydroxycoumarin
TL;DR: 3-Hydroxycoumarin (CAS 939-19-5) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxychromen-2-one
Also Known As: 3-Hydroxycoumarin, 3-hydroxy-2H-chromen-2-one, hydroxycoumarin, 3-hydroxychromen-2-one, 3 Hydroxycoumarin
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 939-19-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)O |
| InChIKey | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxycoumarin (CAS 939-19-5), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 3-hydroxychromen-2-one.
Chemical Property Profile of 3-Hydroxycoumarin
Property Insights of 3-Hydroxycoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxycoumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxycoumarin has 1 hydrogen bond donor(s) and 3 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-Hydroxycoumarin?
The CAS number of 3-Hydroxycoumarin is 939-19-5.
What is the molecular formula of 3-Hydroxycoumarin?
The molecular formula of 3-Hydroxycoumarin is C9H6O3.
What is the molecular weight of 3-Hydroxycoumarin?
The molecular weight of 3-Hydroxycoumarin is 162.03 g/mol.
Where can I buy 3-Hydroxycoumarin?
You can request a quote for 3-Hydroxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.