2,3,3-Trimethyl-3H-indole-5-carboxylic acid
TL;DR: 2,3,3-Trimethyl-3H-indole-5-carboxylic acid (CAS 84100-84-5) 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.
2,3,3-trimethylindole-5-carboxylic acid
Also Known As: 2,3,3-Trimethyl-3H-indole-5-carboxylic acid, 2,3,3-trimethylindole-5-carboxylic acid, 2,3,3-trimethyl-5-carboxyindolenine, EINECS 282-162-4, 2,3,3-trimethyl-3H-indole-5-carboxylicacid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.7684 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 472.5105 |
Chemical Identifiers
| CAS Number | 84100-84-5 |
|---|---|
| SMILES | CC1=NC2=C(C1(C)C)C=C(C=C2)C(=O)O |
Product Overview
2,3,3-Trimethyl-3H-indole-5-carboxylic acid (CAS 84100-84-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2,3,3-trimethylindole-5-carboxylic acid.
Chemical Property Profile of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid
Property Insights of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid
The XLogP value of 2.7684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3-Trimethyl-3H-indole-5-carboxylic acid. With a topological polar surface area (TPSA) of 49.66 Ų, 2,3,3-Trimethyl-3H-indole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trimethyl-3H-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 2,3,3-Trimethyl-3H-indole-5-carboxylic acid?
The CAS number of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid is 84100-84-5.
What is the molecular formula of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid?
The molecular formula of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid is C12H13NO2.
What is the molecular weight of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid?
The molecular weight of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid is 203.09 g/mol.
Where can I buy 2,3,3-Trimethyl-3H-indole-5-carboxylic acid?
You can request a quote for 2,3,3-Trimethyl-3H-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 2,3,3-Trimethyl-3H-indole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trimethyl-3H-indole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.