RefChem:1073364
TL;DR: RefChem:1073364 (CAS 26771-61-9) is a chemical compound with molecular formula C13H14ClNO3S2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Also Known As: 3-(p-Chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-5-thiazolidinecarboxylic acid ethyl ester, 5-Thiazolidinecarboxylic acid, 3-(p-chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-, ethyl ester, ethyl 3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate, ethyl 3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-1,3-thiazolidine-5-carboxylate, 5-Thiazolidinecarboxylicacid, 3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
| Molecular Formula | C13H14ClNO3S2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.01038 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 26771-61-9 |
|---|---|
| SMILES | CCOC(=O)C1C(N(C(=S)S1)C2=CC=C(C=C2)Cl)(C)O |
| InChIKey | YSTWLDAYSRHNKB-UHFFFAOYSA-N |
Product Overview
RefChem:1073364 (CAS 26771-61-9), with molecular formula C13H14ClNO3S2 and molecular weight 331.01 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate.
Chemical Property Profile of RefChem:1073364
Property Insights of RefChem:1073364
The XLogP value of 3.8 indicates that RefChem:1073364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073364. Following Lipinski's Rule of Five, RefChem:1073364 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 RefChem:1073364?
The CAS number of RefChem:1073364 is 26771-61-9.
What is the molecular formula of RefChem:1073364?
The molecular formula of RefChem:1073364 is C13H14ClNO3S2.
What is the molecular weight of RefChem:1073364?
The molecular weight of RefChem:1073364 is 331.01 g/mol.
Where can I buy RefChem:1073364?
You can request a quote for RefChem:1073364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073364?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.