2-(4,6-dichloro-1H-indol-3-yl)acetic acid
TL;DR: 2-(4,6-dichloro-1H-indol-3-yl)acetic acid (CAS 63352-95-4) is a chemical compound with molecular formula C10H7Cl2NO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dichloro-1H-indol-3-yl)acetic acid
Also Known As: 2-(4,6-dichloro-1H-indol-3-yl)acetic acid, 4,6-dichloroindol-3-yl acetic acid, 4,6-Dichloroindole-3-acetic acid, 4,6-Dichloro-1H-indole-3-acetic acid, (4,6-Dichloro-1H-indol-3-yl)acetic acid
| Molecular Formula | C10H7Cl2NO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.98538 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 63352-95-4 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC=C2CC(=O)O)Cl)Cl |
| InChIKey | ROTGBOYWQQKIMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,6-dichloro-1H-indol-3-yl)acetic acid (CAS 63352-95-4), with molecular formula C10H7Cl2NO2 and molecular weight 242.99 g/mol. IUPAC: 2-(4,6-dichloro-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid
Property Insights of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dichloro-1H-indol-3-yl)acetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 2-(4,6-dichloro-1H-indol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,6-dichloro-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-(4,6-dichloro-1H-indol-3-yl)acetic acid?
The CAS number of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid is 63352-95-4.
What is the molecular formula of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid?
The molecular formula of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid is C10H7Cl2NO2.
What is the molecular weight of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid?
The molecular weight of 2-(4,6-dichloro-1H-indol-3-yl)acetic acid is 242.99 g/mol.
Where can I buy 2-(4,6-dichloro-1H-indol-3-yl)acetic acid?
You can request a quote for 2-(4,6-dichloro-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-(4,6-dichloro-1H-indol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dichloro-1H-indol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.