4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-
TL;DR: 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- (CAS 91392-86-8) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano(phenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
Also Known As: 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-, 2-[cyano(phenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 91392-86-8 |
|---|---|
| SMILES | C1C(NC(S1)C(C#N)C2=CC=CC=C2)C(=O)O |
| InChIKey | QTKKXJDUWHUMDJ-UHFFFAOYSA-N |
Product Overview
4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- (CAS 91392-86-8), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 2-[cyano(phenyl)methyl]-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-
Property Insights of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-
The XLogP value of -0.9 indicates that 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-. Following Lipinski's Rule of Five, 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- has 2 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 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-?
The CAS number of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- is 91392-86-8.
What is the molecular formula of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-?
The molecular formula of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- is C12H12N2O2S.
What is the molecular weight of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-?
The molecular weight of 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- is 248.06 g/mol.
Where can I buy 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-?
You can request a quote for 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolidinecarboxylicacid, 2-(cyanophenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.