Methyl 4-chloro-1H-indole-3-acetate
TL;DR: Methyl 4-chloro-1H-indole-3-acetate (CAS 21834-92-4) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chloro-1H-indol-3-yl)acetate
Also Known As: methyl 2-(4-chloro-1H-indol-3-yl)acetate, methyl 4-chloroindole-3-acetate, Methyl 4-chloroindolyl-3-acetate, Methyl 4-chloro-1H-indole-3-acetate, 1H-Indole-3-acetic acid, 4-chloro-, methyl ester
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| Melting Point | 120 - 121 °C |
Chemical Identifiers
| CAS Number | 21834-92-4 |
|---|---|
| SMILES | COC(=O)CC1=CNC2=C1C(=CC=C2)Cl |
| InChIKey | SYPGJEURLIGNPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-chloro-1H-indole-3-acetate (CAS 21834-92-4), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: methyl 2-(4-chloro-1H-indol-3-yl)acetate.
Chemical Property Profile of Methyl 4-chloro-1H-indole-3-acetate
Property Insights of Methyl 4-chloro-1H-indole-3-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-1H-indole-3-acetate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl 4-chloro-1H-indole-3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-1H-indole-3-acetate 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 4-chloro-1H-indole-3-acetate?
The CAS number of Methyl 4-chloro-1H-indole-3-acetate is 21834-92-4.
What is the molecular formula of Methyl 4-chloro-1H-indole-3-acetate?
The molecular formula of Methyl 4-chloro-1H-indole-3-acetate is C11H10ClNO2.
What is the molecular weight of Methyl 4-chloro-1H-indole-3-acetate?
The molecular weight of Methyl 4-chloro-1H-indole-3-acetate is 223.04 g/mol.
Where can I buy Methyl 4-chloro-1H-indole-3-acetate?
You can request a quote for Methyl 4-chloro-1H-indole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-1H-indole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-1H-indole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.