5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 312499-54-0) is a chemical compound with molecular formula C17H17ClN2OS3 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one, A1892/0079432, (5Z)-5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one, 5-[(2Z)-5-CHLORO-3-CYCLOHEXYL-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]-3-METHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C17H17ClN2OS3 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 5.244 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.01917 |
| Heavy Atoms | 24 |
| Complexity | 758.2026 |
Chemical Identifiers
| CAS Number | 312499-54-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)Cl)C4CCCCC4)/SC1=S |
Product Overview
5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 312499-54-0), with molecular formula C17H17ClN2OS3 and molecular weight 396.02 g/mol. IUPAC: (5Z)-5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.244 indicates that 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 312499-54-0.
What is the molecular formula of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is C17H17ClN2OS3.
What is the molecular weight of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 396.02 g/mol.
Where can I buy 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-chloro-3-cyclohexyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.