![(Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate structure](/static/products/382/382644-63-5.png)
(Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate
TL;DR: (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate (CAS 382644-63-5) is a chemical compound with molecular formula C21H14ClNO2S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzothiazol-2-ylsulfanyl-(2-chlorophenyl)methyl] benzoate
Also Known As: (benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate, [1,3-benzothiazol-2-ylsulfanyl-(2-chlorophenyl)methyl] benzoate
| Molecular Formula | C21H14ClNO2S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 6.5976 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.01544 |
| Heavy Atoms | 27 |
| Complexity | 1048.7014 |
Chemical Identifiers
| CAS Number | 382644-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2Cl)SC3=NC4=CC=CC=C4S3 |
Product Overview
(Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate (CAS 382644-63-5), with molecular formula C21H14ClNO2S2 and molecular weight 411.02 g/mol. IUPAC: [1,3-benzothiazol-2-ylsulfanyl-(2-chlorophenyl)methyl] benzoate.
Chemical Property Profile of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate
Property Insights of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate
The XLogP value of 6.5976 indicates that (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate 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 (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate?
The CAS number of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate is 382644-63-5.
What is the molecular formula of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate?
The molecular formula of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate is C21H14ClNO2S2.
What is the molecular weight of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate?
The molecular weight of (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate is 411.02 g/mol.
Where can I buy (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate?
You can request a quote for (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Benzo[d]thiazol-2-ylthio)(2-chlorophenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.