5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid
TL;DR: 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid (CAS 152088-13-6) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-1,3-dimethylindole-2-carboxylic acid
Also Known As: 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid, 5-chloro-1,3-dimethylindole-2-carboxylic acid, 4732AD, ASN 05150801, 5-chloro-1,3-dimethyl-indole-2-carboxylic acid
Technical Specifications
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.04001 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.04001 Da |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| SMILES | CC1=C(N(C2=C1C=C(C=C2)Cl)C)C(=O)O |
| InChIKey | YWHLWJBYLZEDNM-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid
Property Insights of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid?
The CAS number of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid is 152088-13-6.
What is the molecular formula of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid?
The molecular formula of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid is C11H10ClNO2.
What is the molecular weight of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid?
The molecular weight of 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid is 223.04001 g/mol.
Where can I buy 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid?
You can request a quote for 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.