3,5-dimethyl-1H-indole-2-carboxylic acid
TL;DR: 3,5-dimethyl-1H-indole-2-carboxylic acid (CAS 16381-45-6) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-indole-2-carboxylic acid
Also Known As: 3,5-Dimethyl-1H-indole-2-carboxylic acid, 1-Boc-3-amniopiperidine, 1H-Indole-2-carboxylic acid, 3,5-dimethyl-, CHEMBRDG-BB 4004390, 3,5-dimethylindole-2-carboxylic acid
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.48294 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 511.22705 |
Chemical Identifiers
| CAS Number | 16381-45-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2C)C(=O)O |
Product Overview
3,5-dimethyl-1H-indole-2-carboxylic acid (CAS 16381-45-6), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 3,5-dimethyl-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3,5-dimethyl-1H-indole-2-carboxylic acid
Property Insights of 3,5-dimethyl-1H-indole-2-carboxylic acid
The XLogP value of 2.48294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 3,5-dimethyl-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethyl-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 3,5-dimethyl-1H-indole-2-carboxylic acid?
The CAS number of 3,5-dimethyl-1H-indole-2-carboxylic acid is 16381-45-6.
What is the molecular formula of 3,5-dimethyl-1H-indole-2-carboxylic acid?
The molecular formula of 3,5-dimethyl-1H-indole-2-carboxylic acid is C11H11NO2.
What is the molecular weight of 3,5-dimethyl-1H-indole-2-carboxylic acid?
The molecular weight of 3,5-dimethyl-1H-indole-2-carboxylic acid is 189.08 g/mol.
Where can I buy 3,5-dimethyl-1H-indole-2-carboxylic acid?
You can request a quote for 3,5-dimethyl-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 3,5-dimethyl-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.