13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
TL;DR: 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- (CAS 478-13-7) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Also Known As: Ophiocarpine, l-Ophiocarpine, 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-, 13a-alpha-BERBIN-13-beta-OL, 9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-, 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 478-13-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC |
| InChIKey | FLSSXYPKPLFNLK-UHFFFAOYSA-N |
Product Overview
13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- (CAS 478-13-7), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol.
Chemical Property Profile of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
Property Insights of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-. Following Lipinski's Rule of Five, 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- has 1 hydrogen bond donor(s) and 6 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 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-?
The CAS number of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- is 478-13-7.
What is the molecular formula of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-?
The molecular formula of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- is C20H21NO5.
What is the molecular weight of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-?
The molecular weight of 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- is 355.14 g/mol.
Where can I buy 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-?
You can request a quote for 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-?
Yes, KEHONG BIO provides custom synthesis services for 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.