Carpoxidine
TL;DR: Carpoxidine (CAS 66408-19-3) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Also Known As: Carpoxidine, Ophiocarpine N-oxide, (-)-Ophiocarpine N-oxide, 1,3-DIOXOLANE, 2-(2,6-DIMETHYL-1,5-HEPTADIENYL)-, 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizin-13-ol, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, 7-oxide, (7S-(7alpha,13alpha,13abeta))-
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.5915 |
| Topological Polar Surface Area | 80.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 929.17334 |
Chemical Identifiers
| CAS Number | 66408-19-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CC[N+]3(C2)[O-])OCO5)O)OC |
Product Overview
Carpoxidine (CAS 66408-19-3), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[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 Carpoxidine
Property Insights of Carpoxidine
The XLogP value of 2.5915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carpoxidine. The TPSA of 80.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Carpoxidine. Following Lipinski's Rule of Five, Carpoxidine 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 Carpoxidine?
The CAS number of Carpoxidine is 66408-19-3.
What is the molecular formula of Carpoxidine?
The molecular formula of Carpoxidine is C20H21NO6.
What is the molecular weight of Carpoxidine?
The molecular weight of Carpoxidine is 371.14 g/mol.
Where can I buy Carpoxidine?
You can request a quote for Carpoxidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carpoxidine?
Yes, KEHONG BIO provides custom synthesis services for Carpoxidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.