2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
TL;DR: 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester (CAS 10051-40-8) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
Also Known As: AHR agonist, methyl 2-(1H-indole-3-carbonyl)thiazole-4-carboxylate, ITE, ITE methyl ester, ITE (cancer)
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.642 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 803.4715 |
Chemical Identifiers
| CAS Number | 10051-40-8 |
|---|---|
| SMILES | COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32 |
Product Overview
2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester (CAS 10051-40-8), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.
Chemical Property Profile of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
Property Insights of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
The XLogP value of 2.642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester. Following Lipinski's Rule of Five, 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester has 1 hydrogen bond donor(s) and 5 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-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester?
The CAS number of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester is 10051-40-8.
What is the molecular formula of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester?
The molecular formula of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester is C14H10N2O3S.
What is the molecular weight of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester?
The molecular weight of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester is 286.04 g/mol.
Where can I buy 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester?
You can request a quote for 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.