3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid
TL;DR: 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid (CAS 7145-38-2) is a chemical compound with molecular formula C18H12O9 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione
Also Known As: 3,4,5-Tmmf, 1,2,3-Tri-O-methyl-7,8-methyleneflavellagic acid, Isolate from Agrostistachys hookeri, (1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3-trimethoxy-, 3,4,5-O-Trimethyl-3',4'-O,O-methylidineflavellagic acid
| Molecular Formula | C18H12O9 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.04813 |
| Heavy Atoms | 27 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 7145-38-2 |
|---|---|
| SMILES | COC1=C(C(=C2C3=C1C(=O)OC4=C3C(=CC5=C4OCO5)C(=O)O2)OC)OC |
| InChIKey | QQLURXJDJDJYQV-UHFFFAOYSA-N |
Product Overview
3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid (CAS 7145-38-2), with molecular formula C18H12O9 and molecular weight 372.05 g/mol. IUPAC: 12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione.
Chemical Property Profile of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid
Property Insights of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid. Following Lipinski's Rule of Five, 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid has 0 hydrogen bond donor(s) and 9 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 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid?
The CAS number of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid is 7145-38-2.
What is the molecular formula of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid?
The molecular formula of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid is C18H12O9.
What is the molecular weight of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid?
The molecular weight of 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid is 372.05 g/mol.
Where can I buy 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid?
You can request a quote for 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.