1H-Indole-3-propanoic acid, 5-chloro-
TL;DR: 1H-Indole-3-propanoic acid, 5-chloro- (CAS 6335-39-3) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-1H-indol-3-yl)propanoic acid
Also Known As: 3-(5-chloro-1H-indol-3-yl)propanoic Acid, 1H-Indole-3-propanoic acid, 5-chloro-, 5-chloroindole-3-propionic acid, 4-isopropylbenzenesulfonamide, 3-(5-Chloro-3-indolyl)propanoic Acid
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6335-39-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CN2)CCC(=O)O |
| InChIKey | IUIMRMMVZDAFQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-propanoic acid, 5-chloro- (CAS 6335-39-3), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: 3-(5-chloro-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 1H-Indole-3-propanoic acid, 5-chloro-
Property Insights of 1H-Indole-3-propanoic acid, 5-chloro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-propanoic acid, 5-chloro-. With a topological polar surface area (TPSA) of 53.1 Ų, 1H-Indole-3-propanoic acid, 5-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-propanoic acid, 5-chloro- 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 1H-Indole-3-propanoic acid, 5-chloro-?
The CAS number of 1H-Indole-3-propanoic acid, 5-chloro- is 6335-39-3.
What is the molecular formula of 1H-Indole-3-propanoic acid, 5-chloro-?
The molecular formula of 1H-Indole-3-propanoic acid, 5-chloro- is C11H10ClNO2.
What is the molecular weight of 1H-Indole-3-propanoic acid, 5-chloro-?
The molecular weight of 1H-Indole-3-propanoic acid, 5-chloro- is 223.04 g/mol.
Where can I buy 1H-Indole-3-propanoic acid, 5-chloro-?
You can request a quote for 1H-Indole-3-propanoic acid, 5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-propanoic acid, 5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-propanoic acid, 5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.