methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
TL;DR: methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate (CAS 54326-52-2) is a chemical compound with molecular formula C19H16ClNO3S3 and molecular weight 437.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
Also Known As: methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate, 5-THIAZOLIDINEACETICACID, A-[(4-CHLOROPHENYL)THIO]-4-OXO-3-(PHENYLMETHYL)-2-THIOXO-,METHYL ESTER, Methyl (3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)[(4-chlorophenyl)sulfanyl]acetate
| Molecular Formula | C19H16ClNO3S3 |
|---|---|
| Molecular Weight | 437.00 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.99808 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 54326-52-2 |
|---|---|
| SMILES | COC(=O)C(C1C(=O)N(C(=S)S1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl |
| InChIKey | SCFYJGSMZBGPRO-UHFFFAOYSA-N |
Product Overview
methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate (CAS 54326-52-2), with molecular formula C19H16ClNO3S3 and molecular weight 437.00 g/mol. IUPAC: methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate.
Chemical Property Profile of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
Property Insights of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate
The XLogP value of 5.2 indicates that methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate. Following Lipinski's Rule of Five, methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate?
The CAS number of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate is 54326-52-2.
What is the molecular formula of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate?
The molecular formula of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate is C19H16ClNO3S3.
What is the molecular weight of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate?
The molecular weight of methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate is 437.00 g/mol.
Where can I buy methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate?
You can request a quote for methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-(4-chlorophenyl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.