Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
TL;DR: Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- (CAS 6342-75-2) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9R,16R,18R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Also Known As: Kopsinine, methyl(2, A,3, A,5, A)-aspidofractinine-3-carboxylate
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 6342-75-2 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[C@]23CCCN4C2[C@@]5([C@]1(CC3)NC6=CC=CC=C65)CC4 |
| InChIKey | IYLRRIUNGGQRTN-GKCDKPGPSA-N |
Product Overview
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- (CAS 6342-75-2), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: methyl (1R,9R,16R,18R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate.
Chemical Property Profile of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
Property Insights of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-. With a topological polar surface area (TPSA) of 41.6 Ų, Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- 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 Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-?
The CAS number of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- is 6342-75-2.
What is the molecular formula of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-?
The molecular formula of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- is C21H26N2O2.
What is the molecular weight of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-?
The molecular weight of Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- is 338.20 g/mol.
Where can I buy Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-?
You can request a quote for Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.