4,7-dichloro-1H-indole-2-carboxylic acid
TL;DR: 4,7-dichloro-1H-indole-2-carboxylic acid (CAS 96129-74-7) is a chemical compound with molecular formula C9H5Cl2NO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dichloro-1H-indole-2-carboxylic acid
Also Known As: 4,7-dichloro-1H-indole-2-carboxylic Acid, 4,7-dichloroindole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 4,7-dichloro-, 4,7-dichloro-1H-indole-2-carboxylicAcid, 878-171-3
| Molecular Formula | C9H5Cl2NO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 3.1729 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.96973 |
| Heavy Atoms | 14 |
| Complexity | 479.75146 |
Chemical Identifiers
| CAS Number | 96129-74-7 |
|---|---|
| SMILES | C1=CC(=C2C(=C1Cl)C=C(N2)C(=O)O)Cl |
Product Overview
4,7-dichloro-1H-indole-2-carboxylic acid (CAS 96129-74-7), with molecular formula C9H5Cl2NO2 and molecular weight 228.97 g/mol. IUPAC: 4,7-dichloro-1H-indole-2-carboxylic acid.
Chemical Property Profile of 4,7-dichloro-1H-indole-2-carboxylic acid
Property Insights of 4,7-dichloro-1H-indole-2-carboxylic acid
The XLogP value of 3.1729 indicates that 4,7-dichloro-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, 4,7-dichloro-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-dichloro-1H-indole-2-carboxylic acid has 2 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 4,7-dichloro-1H-indole-2-carboxylic acid?
The CAS number of 4,7-dichloro-1H-indole-2-carboxylic acid is 96129-74-7.
What is the molecular formula of 4,7-dichloro-1H-indole-2-carboxylic acid?
The molecular formula of 4,7-dichloro-1H-indole-2-carboxylic acid is C9H5Cl2NO2.
What is the molecular weight of 4,7-dichloro-1H-indole-2-carboxylic acid?
The molecular weight of 4,7-dichloro-1H-indole-2-carboxylic acid is 228.97 g/mol.
Where can I buy 4,7-dichloro-1H-indole-2-carboxylic acid?
You can request a quote for 4,7-dichloro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-dichloro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,7-dichloro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.