RefChem:95466
TL;DR: RefChem:95466 (CAS 68901-07-5) is a chemical compound with molecular formula C15H12N2O3S3 and molecular weight 364.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-(3-methyl-4-phenyl-2(3H)-thiazolylidene)-4-oxo-2-thioxo-, 3-Carboxymethyl-5-(3-methyl-4-phenylthiazolin-2-ylidene)rhodanine, 3-Thiazolidineaceticacid, 5-(3-methyl-4-phenyl-2(3H)-thiazolylidene)-4-oxo-2-thioxo-, 5-(3-Methyl-4-phenylthiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid, EINECS 272-650-5
| Molecular Formula | C15H12N2O3S3 |
|---|---|
| Molecular Weight | 364.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.001 |
| Heavy Atoms | 23 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 68901-07-5 |
|---|---|
| SMILES | CN1C(=CSC1=C2C(=O)N(C(=S)S2)CC(=O)O)C3=CC=CC=C3 |
| InChIKey | NGCHMQBCOUHPJH-UHFFFAOYSA-N |
Product Overview
RefChem:95466 (CAS 68901-07-5), with molecular formula C15H12N2O3S3 and molecular weight 364.00 g/mol. IUPAC: 2-[5-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:95466
Property Insights of RefChem:95466
The XLogP value of 3.0 indicates that RefChem:95466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:95466 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:95466 has 1 hydrogen bond donor(s) and 7 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:95466?
The CAS number of RefChem:95466 is 68901-07-5.
What is the molecular formula of RefChem:95466?
The molecular formula of RefChem:95466 is C15H12N2O3S3.
What is the molecular weight of RefChem:95466?
The molecular weight of RefChem:95466 is 364.00 g/mol.
Where can I buy RefChem:95466?
You can request a quote for RefChem:95466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.