3-Carboxykomavine
TL;DR: 3-Carboxykomavine (CAS 205318-52-1) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
Also Known As: 3-Carboxykomavine, 2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrido[3,4-b]indole]-3'-carboxylic acid, 3',4'-dihydro-spiro[cyclohexane-1,1'(2'H)-pyrido[3,4-b]indole]-3'-carboxylic acid, BAS 12311061, tert-butyl 3-(aminomethyl)phenylcarbamate
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 2.9262 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 697.87805 |
Chemical Identifiers
| CAS Number | 205318-52-1 |
|---|---|
| SMILES | C1CCC2(CC1)C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 |
Product Overview
3-Carboxykomavine (CAS 205318-52-1), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid.
Chemical Property Profile of 3-Carboxykomavine
Property Insights of 3-Carboxykomavine
The XLogP value of 2.9262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxykomavine. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxykomavine. Following Lipinski's Rule of Five, 3-Carboxykomavine has 3 hydrogen bond donor(s) and 2 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-Carboxykomavine?
The CAS number of 3-Carboxykomavine is 205318-52-1.
What is the molecular formula of 3-Carboxykomavine?
The molecular formula of 3-Carboxykomavine is C17H20N2O2.
What is the molecular weight of 3-Carboxykomavine?
The molecular weight of 3-Carboxykomavine is 284.15 g/mol.
Where can I buy 3-Carboxykomavine?
You can request a quote for 3-Carboxykomavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxykomavine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxykomavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.