3,3',4',5,7-Pentahydroxy-8-methylflavone
TL;DR: 3,3',4',5,7-Pentahydroxy-8-methylflavone (CAS 54987-82-5) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methylchromen-4-one
Also Known As: 8-methylquercetin, 3,3',4',5,7-Pentahydroxy-8-methylflavone, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methyl-4H-chromen-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methylchromen-4-one
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.29642 |
| Topological Polar Surface Area | 131.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 1001.707 |
Chemical Identifiers
| CAS Number | 54987-82-5 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O |
Product Overview
3,3',4',5,7-Pentahydroxy-8-methylflavone (CAS 54987-82-5), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methylchromen-4-one.
Chemical Property Profile of 3,3',4',5,7-Pentahydroxy-8-methylflavone
Property Insights of 3,3',4',5,7-Pentahydroxy-8-methylflavone
The XLogP value of 2.29642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3',4',5,7-Pentahydroxy-8-methylflavone. The TPSA of 131.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3',4',5,7-Pentahydroxy-8-methylflavone. Following Lipinski's Rule of Five, 3,3',4',5,7-Pentahydroxy-8-methylflavone has 5 hydrogen bond donor(s) and 7 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 3,3',4',5,7-Pentahydroxy-8-methylflavone?
The CAS number of 3,3',4',5,7-Pentahydroxy-8-methylflavone is 54987-82-5.
What is the molecular formula of 3,3',4',5,7-Pentahydroxy-8-methylflavone?
The molecular formula of 3,3',4',5,7-Pentahydroxy-8-methylflavone is C16H12O7.
What is the molecular weight of 3,3',4',5,7-Pentahydroxy-8-methylflavone?
The molecular weight of 3,3',4',5,7-Pentahydroxy-8-methylflavone is 316.06 g/mol.
Where can I buy 3,3',4',5,7-Pentahydroxy-8-methylflavone?
You can request a quote for 3,3',4',5,7-Pentahydroxy-8-methylflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',4',5,7-Pentahydroxy-8-methylflavone?
Yes, KEHONG BIO provides custom synthesis services for 3,3',4',5,7-Pentahydroxy-8-methylflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.