1,2,3-Trimethyl-1H-indole-5-carboxylic acid
TL;DR: 1,2,3-Trimethyl-1H-indole-5-carboxylic acid (CAS 356783-14-7) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethylindole-5-carboxylic acid
Also Known As: 1,2,3-Trimethyl-1H-indole-5-carboxylic acid, 1,2,3-trimethylindole-5-carboxylic acid, 1521AE, 1522AE, 4460AB
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 356783-14-7 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)C(=O)O)C)C |
| InChIKey | WMRXNYCNGNFJOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trimethyl-1H-indole-5-carboxylic acid (CAS 356783-14-7), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1,2,3-trimethylindole-5-carboxylic acid.
Chemical Property Profile of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid
Property Insights of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trimethyl-1H-indole-5-carboxylic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 1,2,3-Trimethyl-1H-indole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trimethyl-1H-indole-5-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
Frequently Asked Questions
What is the CAS number of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid?
The CAS number of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid is 356783-14-7.
What is the molecular formula of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid?
The molecular formula of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid is C12H13NO2.
What is the molecular weight of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid?
The molecular weight of 1,2,3-Trimethyl-1H-indole-5-carboxylic acid is 203.09 g/mol.
Where can I buy 1,2,3-Trimethyl-1H-indole-5-carboxylic acid?
You can request a quote for 1,2,3-Trimethyl-1H-indole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trimethyl-1H-indole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trimethyl-1H-indole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.