2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid
TL;DR: 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid (CAS 111961-85-4) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylic acid
Also Known As: ITCA, 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid, 2-hexahydroazocin-1-yl-1-phenyl-ethanone, 2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylic acid, 4-Thiazolidinecarboxylicacid, 2-(1H-indol-3-ylmethyl)-
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.8261 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 581.1299 |
Chemical Identifiers
| CAS Number | 111961-85-4 |
|---|---|
| SMILES | C1C(NC(S1)CC2=CNC3=CC=CC=C32)C(=O)O |
Product Overview
2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid (CAS 111961-85-4), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid
Property Insights of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid
The XLogP value of 1.8261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 3 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'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid?
The CAS number of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid is 111961-85-4.
What is the molecular formula of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid?
The molecular formula of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid is C13H14N2O2S.
What is the molecular weight of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid?
The molecular weight of 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid is 262.08 g/mol.
Where can I buy 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid?
You can request a quote for 2-(3'Indolylmethyl)-1,3-thiazolidine-4-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'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3'Indolylmethyl)-1,3-thiazolidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.