5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
TL;DR: 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin (CAS 112078-91-8) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-2-one
Also Known As: Coutareagenin, Copper(1+), (fluoroborylene)-, 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin, 4-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXYCHROMEN-2-ONE, 7-methoxy-5,3',4'-trihydroxy-4-phenylcoumarin
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.5854 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 925.80273 |
Chemical Identifiers
| CAS Number | 112078-91-8 |
|---|---|
| SMILES | COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC(=C(C=C3)O)O)O |
Product Overview
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin (CAS 112078-91-8), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 4-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-2-one.
Chemical Property Profile of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
Property Insights of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
The XLogP value of 2.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin. Following Lipinski's Rule of Five, 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin has 3 hydrogen bond donor(s) and 6 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 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin?
The CAS number of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin is 112078-91-8.
What is the molecular formula of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin?
The molecular formula of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin is C16H12O6.
What is the molecular weight of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin?
The molecular weight of 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin is 300.06 g/mol.
Where can I buy 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin?
You can request a quote for 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.