2-chloro-1H-indole
TL;DR: 2-chloro-1H-indole (CAS 694-93-9) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1H-indole
Also Known As: 2-chloro-1H-indole, 2-CHLOROINDOLE, chloroindole, 1H-indole, 2-chloro-, 3-Chloroindole
| Molecular Formula | C8H6ClN |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.01888 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 694-93-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)Cl |
| InChIKey | HBZHNVUMFPGVHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-1H-indole (CAS 694-93-9), with molecular formula C8H6ClN and molecular weight 151.02 g/mol. IUPAC: 2-chloro-1H-indole.
Chemical Property Profile of 2-chloro-1H-indole
Property Insights of 2-chloro-1H-indole
The XLogP value of 3.4 indicates that 2-chloro-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, 2-chloro-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1H-indole has 1 hydrogen bond donor(s) and 0 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-chloro-1H-indole?
The CAS number of 2-chloro-1H-indole is 694-93-9.
What is the molecular formula of 2-chloro-1H-indole?
The molecular formula of 2-chloro-1H-indole is C8H6ClN.
What is the molecular weight of 2-chloro-1H-indole?
The molecular weight of 2-chloro-1H-indole is 151.02 g/mol.
Where can I buy 2-chloro-1H-indole?
You can request a quote for 2-chloro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.