Columbiananine
TL;DR: Columbiananine (CAS 6584-60-7) is a chemical compound with molecular formula C23H37NO5 and molecular weight 407.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Also Known As: Columbiananine, 20-ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol, 11-Ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol, Aconitane-8,14-diol, 20-ethyl-4-(hydroxymethyl)-1,16-dimethoxy-, (1alpha,14alpha,16beta)-
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.27 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 6584-60-7 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)CO |
| InChIKey | WCEASIFXIDFWHE-UHFFFAOYSA-N |
Product Overview
Columbiananine (CAS 6584-60-7), with molecular formula C23H37NO5 and molecular weight 407.27 g/mol. IUPAC: 11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol.
Chemical Property Profile of Columbiananine
Property Insights of Columbiananine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Columbiananine. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Columbiananine. Following Lipinski's Rule of Five, Columbiananine has 3 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 Columbiananine?
The CAS number of Columbiananine is 6584-60-7.
What is the molecular formula of Columbiananine?
The molecular formula of Columbiananine is C23H37NO5.
What is the molecular weight of Columbiananine?
The molecular weight of Columbiananine is 407.27 g/mol.
Where can I buy Columbiananine?
You can request a quote for Columbiananine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Columbiananine?
Yes, KEHONG BIO provides custom synthesis services for Columbiananine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.