Methyl 6-cyano-1H-indole-2-carboxylate
TL;DR: Methyl 6-cyano-1H-indole-2-carboxylate (CAS 104291-83-0) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-cyano-1H-indole-2-carboxylate
Also Known As: methyl 6-cyano-1H-indole-2-carboxylate, 6-cyano-1h-indole-2-carboxylic acid methyl ester, methyl 6-cyano-2-indolecarboxylate, Methyl 6-Cyanoindole-2-carboxylate, Methyl6-cyano-1H-indole-2-carboxylate
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.82618 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 563.46185 |
Chemical Identifiers
| CAS Number | 104291-83-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N1)C=C(C=C2)C#N |
Product Overview
Methyl 6-cyano-1H-indole-2-carboxylate (CAS 104291-83-0), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: methyl 6-cyano-1H-indole-2-carboxylate.
Chemical Property Profile of Methyl 6-cyano-1H-indole-2-carboxylate
Property Insights of Methyl 6-cyano-1H-indole-2-carboxylate
The XLogP value of 1.82618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-cyano-1H-indole-2-carboxylate. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-cyano-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 6-cyano-1H-indole-2-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 6-cyano-1H-indole-2-carboxylate?
The CAS number of Methyl 6-cyano-1H-indole-2-carboxylate is 104291-83-0.
What is the molecular formula of Methyl 6-cyano-1H-indole-2-carboxylate?
The molecular formula of Methyl 6-cyano-1H-indole-2-carboxylate is C11H8N2O2.
What is the molecular weight of Methyl 6-cyano-1H-indole-2-carboxylate?
The molecular weight of Methyl 6-cyano-1H-indole-2-carboxylate is 200.06 g/mol.
Where can I buy Methyl 6-cyano-1H-indole-2-carboxylate?
You can request a quote for Methyl 6-cyano-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-cyano-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-cyano-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.