methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
TL;DR: methyl 3-(cyanomethyl)-1H-indole-7-carboxylate (CAS 293329-76-7) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
Also Known As: methyl 3-(cyanomethyl)-1H-indole-7-carboxylate, AH-034/11963677, 1h-indole-7-carboxylic acid,3-(cyanomethyl)-,methyl ester, 3-(cyanomethyl)-1H-indole-7-carboxylic acid methyl ester
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.02058 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 578.20654 |
Chemical Identifiers
| CAS Number | 293329-76-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1NC=C2CC#N |
Product Overview
methyl 3-(cyanomethyl)-1H-indole-7-carboxylate (CAS 293329-76-7), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: methyl 3-(cyanomethyl)-1H-indole-7-carboxylate.
Chemical Property Profile of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
Property Insights of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
The XLogP value of 2.02058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(cyanomethyl)-1H-indole-7-carboxylate. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(cyanomethyl)-1H-indole-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-(cyanomethyl)-1H-indole-7-carboxylate has 1 hydrogen bond donor(s) and 3 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 methyl 3-(cyanomethyl)-1H-indole-7-carboxylate?
The CAS number of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate is 293329-76-7.
What is the molecular formula of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate?
The molecular formula of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate is C12H10N2O2.
What is the molecular weight of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate?
The molecular weight of methyl 3-(cyanomethyl)-1H-indole-7-carboxylate is 214.07 g/mol.
Where can I buy methyl 3-(cyanomethyl)-1H-indole-7-carboxylate?
You can request a quote for methyl 3-(cyanomethyl)-1H-indole-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(cyanomethyl)-1H-indole-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(cyanomethyl)-1H-indole-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.