3,4-Dihydro-6-hydroxycoumarin
TL;DR: 3,4-Dihydro-6-hydroxycoumarin (CAS 2669-94-5) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-3,4-dihydrochromen-2-one
Also Known As: 3,4-Dihydro-6-hydroxy-2H-1-benzopyran-2-one, Hydrocoumarin, 6-hydroxy-, 3,4-Dihydro-6-hydroxycoumarin, 6-Hydroxy-3,4-dihydrocoumarin, 6-hydroxychroman-2-one
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 2669-94-5 |
|---|---|
| SMILES | C1CC(=O)OC2=C1C=C(C=C2)O |
| InChIKey | ZCNZNVIRVHJXKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-6-hydroxycoumarin (CAS 2669-94-5), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 6-hydroxy-3,4-dihydrochromen-2-one.
Chemical Property Profile of 3,4-Dihydro-6-hydroxycoumarin
Property Insights of 3,4-Dihydro-6-hydroxycoumarin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6-hydroxycoumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 3,4-Dihydro-6-hydroxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-6-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 3,4-Dihydro-6-hydroxycoumarin?
The CAS number of 3,4-Dihydro-6-hydroxycoumarin is 2669-94-5.
What is the molecular formula of 3,4-Dihydro-6-hydroxycoumarin?
The molecular formula of 3,4-Dihydro-6-hydroxycoumarin is C9H8O3.
What is the molecular weight of 3,4-Dihydro-6-hydroxycoumarin?
The molecular weight of 3,4-Dihydro-6-hydroxycoumarin is 164.05 g/mol.
Where can I buy 3,4-Dihydro-6-hydroxycoumarin?
You can request a quote for 3,4-Dihydro-6-hydroxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6-hydroxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6-hydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.