Bifendate
TL;DR: Bifendate (CAS 73536-69-3) is a chemical compound with molecular formula C20H18O10 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
Also Known As: Bifendate, Bifendatatum, .alpha.-ddb, Bifendate,(S), Bifendate, (R)-
| Molecular Formula | C20H18O10 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.09 |
| Heavy Atoms | 30 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 73536-69-3 |
|---|---|
| SMILES | COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2 |
| InChIKey | JMZOMFYRADAWOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bifendate (CAS 73536-69-3), with molecular formula C20H18O10 and molecular weight 418.09 g/mol. IUPAC: methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Bifendate
Property Insights of Bifendate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bifendate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bifendate. Following Lipinski's Rule of Five, Bifendate has 0 hydrogen bond donor(s) and 10 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 Bifendate?
The CAS number of Bifendate is 73536-69-3.
What is the molecular formula of Bifendate?
The molecular formula of Bifendate is C20H18O10.
What is the molecular weight of Bifendate?
The molecular weight of Bifendate is 418.09 g/mol.
Where can I buy Bifendate?
You can request a quote for Bifendate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bifendate?
Yes, KEHONG BIO provides custom synthesis services for Bifendate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.