3-Chloro-1H-indole-2-carbaldehyde
TL;DR: 3-Chloro-1H-indole-2-carbaldehyde (CAS 110912-15-7) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1H-indole-2-carbaldehyde
Also Known As: 3-Chloro-1H-indole-2-carbaldehyde, Nicaraven, 3-chloroindole-2-carbaldehyde, 2-Formyl-3-chloro-1H-indole, 3-Chloro-1H-indole-2-carboxaldehyde
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 110912-15-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C=O)Cl |
| InChIKey | IHPBJLYJOIUBDY-UHFFFAOYSA-N |
Product Overview
3-Chloro-1H-indole-2-carbaldehyde (CAS 110912-15-7), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 3-chloro-1H-indole-2-carbaldehyde.
Chemical Property Profile of 3-Chloro-1H-indole-2-carbaldehyde
Property Insights of 3-Chloro-1H-indole-2-carbaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1H-indole-2-carbaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Chloro-1H-indole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1H-indole-2-carbaldehyde has 1 hydrogen bond donor(s) and 1 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 3-Chloro-1H-indole-2-carbaldehyde?
The CAS number of 3-Chloro-1H-indole-2-carbaldehyde is 110912-15-7.
What is the molecular formula of 3-Chloro-1H-indole-2-carbaldehyde?
The molecular formula of 3-Chloro-1H-indole-2-carbaldehyde is C9H6ClNO.
What is the molecular weight of 3-Chloro-1H-indole-2-carbaldehyde?
The molecular weight of 3-Chloro-1H-indole-2-carbaldehyde is 179.01 g/mol.
Where can I buy 3-Chloro-1H-indole-2-carbaldehyde?
You can request a quote for 3-Chloro-1H-indole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1H-indole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1H-indole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.