3,6,7-Trihydroxycoumarin
TL;DR: 3,6,7-Trihydroxycoumarin (CAS 20759-58-4) is a chemical compound with molecular formula C9H6O5 and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,7-trihydroxychromen-2-one
Also Known As: 3,6,7-Trihydroxycoumarin, 3,6,7-trihydroxychromen-2-one, 3,6,7-Trihydroxy-chromen-2-one, 3,6,7-trihydroxy-2H-chromen-2-one, 3,6,7-Trihydroxy-2H-1-benzopyran-2-one
| Molecular Formula | C9H6O5 |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 0.9098 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.02153 |
| Heavy Atoms | 14 |
| Complexity | 554.8663 |
Chemical Identifiers
| CAS Number | 20759-58-4 |
|---|---|
| SMILES | C1=C2C=C(C(=O)OC2=CC(=C1O)O)O |
Product Overview
3,6,7-Trihydroxycoumarin (CAS 20759-58-4), with molecular formula C9H6O5 and molecular weight 194.02 g/mol. IUPAC: 3,6,7-trihydroxychromen-2-one.
Chemical Property Profile of 3,6,7-Trihydroxycoumarin
Property Insights of 3,6,7-Trihydroxycoumarin
The XLogP value of 0.9098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,7-Trihydroxycoumarin. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,7-Trihydroxycoumarin. Following Lipinski's Rule of Five, 3,6,7-Trihydroxycoumarin 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 3,6,7-Trihydroxycoumarin?
The CAS number of 3,6,7-Trihydroxycoumarin is 20759-58-4.
What is the molecular formula of 3,6,7-Trihydroxycoumarin?
The molecular formula of 3,6,7-Trihydroxycoumarin is C9H6O5.
What is the molecular weight of 3,6,7-Trihydroxycoumarin?
The molecular weight of 3,6,7-Trihydroxycoumarin is 194.02 g/mol.
Where can I buy 3,6,7-Trihydroxycoumarin?
You can request a quote for 3,6,7-Trihydroxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7-Trihydroxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7-Trihydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.