3-O-Methylcalopocarpin
TL;DR: 3-O-Methylcalopocarpin (CAS 202525-95-9) 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.
(6aR,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
Also Known As: Orientanol B, 3-O-Methylcalopocarpin, 9-hydroxy-3-methoxy-2-prenylpterocarpan, (6aR,11aR)-3-methoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol, (6aR,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 202525-95-9 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1OC)OC[C@@H]3[C@H]2OC4=C3C=CC(=C4)O)C |
| InChIKey | FZFGGNNUYSILSL-UWJYYQICSA-N |
Product Overview
3-O-Methylcalopocarpin (CAS 202525-95-9), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: (6aR,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol.
Chemical Property Profile of 3-O-Methylcalopocarpin
Property Insights of 3-O-Methylcalopocarpin
The XLogP value of 4.5 indicates that 3-O-Methylcalopocarpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 3-O-Methylcalopocarpin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-O-Methylcalopocarpin 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 3-O-Methylcalopocarpin?
The CAS number of 3-O-Methylcalopocarpin is 202525-95-9.
What is the molecular formula of 3-O-Methylcalopocarpin?
The molecular formula of 3-O-Methylcalopocarpin is C21H22O4.
What is the molecular weight of 3-O-Methylcalopocarpin?
The molecular weight of 3-O-Methylcalopocarpin is 338.15 g/mol.
Where can I buy 3-O-Methylcalopocarpin?
You can request a quote for 3-O-Methylcalopocarpin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methylcalopocarpin?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methylcalopocarpin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.