7-O-Methylbavachin
TL;DR: 7-O-Methylbavachin (CAS 19879-30-2) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Bavachinin, Bavachinin A, 7-O-Methylbavachin, Bavachinin (1), 7-O-Methylbavachin;Bavachinin A
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 19879-30-2 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1OC)OC(CC2=O)C3=CC=C(C=C3)O)C |
| InChIKey | VOCGSQHKPZSIKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-O-Methylbavachin (CAS 19879-30-2), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: 2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of 7-O-Methylbavachin
Property Insights of 7-O-Methylbavachin
The XLogP value of 4.4 indicates that 7-O-Methylbavachin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 7-O-Methylbavachin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-O-Methylbavachin has 1 hydrogen bond donor(s) and 4 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 7-O-Methylbavachin?
The CAS number of 7-O-Methylbavachin is 19879-30-2.
What is the molecular formula of 7-O-Methylbavachin?
The molecular formula of 7-O-Methylbavachin is C21H22O4.
What is the molecular weight of 7-O-Methylbavachin?
The molecular weight of 7-O-Methylbavachin is 338.15 g/mol.
Where can I buy 7-O-Methylbavachin?
You can request a quote for 7-O-Methylbavachin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-Methylbavachin?
Yes, KEHONG BIO provides custom synthesis services for 7-O-Methylbavachin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.