2-(6-chloro-1H-indol-3-yl)acetic acid
TL;DR: 2-(6-chloro-1H-indol-3-yl)acetic acid (CAS 1912-44-3) 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.
2-(6-chloro-1H-indol-3-yl)acetic acid
Also Known As: 2-(6-chloro-1H-indol-3-yl)acetic acid, 6-Chloroindole-3-acetic acid, (6-Chloro-1H-indol-3-yl)-acetic acid, 1H-Indole-3-acetic acid, 6-chloro-, 6-chloroindol-3-yl acetic acid
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 1912-44-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC=C2CC(=O)O |
| InChIKey | KKJVTNQWFSAWSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(6-chloro-1H-indol-3-yl)acetic acid (CAS 1912-44-3), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 2-(6-chloro-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 2-(6-chloro-1H-indol-3-yl)acetic acid
Property Insights of 2-(6-chloro-1H-indol-3-yl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-chloro-1H-indol-3-yl)acetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 2-(6-chloro-1H-indol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-chloro-1H-indol-3-yl)acetic acid has 2 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 2-(6-chloro-1H-indol-3-yl)acetic acid?
The CAS number of 2-(6-chloro-1H-indol-3-yl)acetic acid is 1912-44-3.
What is the molecular formula of 2-(6-chloro-1H-indol-3-yl)acetic acid?
The molecular formula of 2-(6-chloro-1H-indol-3-yl)acetic acid is C10H8ClNO2.
What is the molecular weight of 2-(6-chloro-1H-indol-3-yl)acetic acid?
The molecular weight of 2-(6-chloro-1H-indol-3-yl)acetic acid is 209.02 g/mol.
Where can I buy 2-(6-chloro-1H-indol-3-yl)acetic acid?
You can request a quote for 2-(6-chloro-1H-indol-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-chloro-1H-indol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-chloro-1H-indol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.