methyl 3-chloro-1H-indole-2-carboxylate
TL;DR: methyl 3-chloro-1H-indole-2-carboxylate (CAS 220664-32-4) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-1H-indole-2-carboxylate
Also Known As: methyl 3-chloro-1H-indole-2-carboxylate, 3-Chloro-1H-indole-2-carboxylic acid methyl ester, methylchloroindolecarboxylate, methyl 3-chloroindole-2-carboxylate, 7539AD
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.6079 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 489.8277 |
Chemical Identifiers
| CAS Number | 220664-32-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2N1)Cl |
Product Overview
methyl 3-chloro-1H-indole-2-carboxylate (CAS 220664-32-4), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: methyl 3-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-1H-indole-2-carboxylate
Property Insights of methyl 3-chloro-1H-indole-2-carboxylate
The XLogP value of 2.6079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-chloro-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 3-chloro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-chloro-1H-indole-2-carboxylate has 1 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 methyl 3-chloro-1H-indole-2-carboxylate?
The CAS number of methyl 3-chloro-1H-indole-2-carboxylate is 220664-32-4.
What is the molecular formula of methyl 3-chloro-1H-indole-2-carboxylate?
The molecular formula of methyl 3-chloro-1H-indole-2-carboxylate is C10H8ClNO2.
What is the molecular weight of methyl 3-chloro-1H-indole-2-carboxylate?
The molecular weight of methyl 3-chloro-1H-indole-2-carboxylate is 209.02 g/mol.
Where can I buy methyl 3-chloro-1H-indole-2-carboxylate?
You can request a quote for methyl 3-chloro-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 3-chloro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.