(1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate
TL;DR: (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate (CAS 372180-15-9) 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(phenyl)methyl] 4-chlorobenzoate
Also Known As: (benzo[d]thiazol-2-ylthio)(phenyl)methyl 4-chlorobenzoate, (1,3-benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate, [1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chlorobenzoate
| 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 | 1031.4514 |
Chemical Identifiers
| CAS Number | 372180-15-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(OC(=O)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4S3 |
Product Overview
(1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate (CAS 372180-15-9), with molecular formula C21H14ClNO2S2 and molecular weight 411.02 g/mol. IUPAC: [1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chlorobenzoate.
Chemical Property Profile of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate
Property Insights of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate
The XLogP value of 6.5976 indicates that (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate 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 (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate?
The CAS number of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate is 372180-15-9.
What is the molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate?
The molecular formula of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate is C21H14ClNO2S2.
What is the molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate?
The molecular weight of (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate is 411.02 g/mol.
Where can I buy (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate?
You can request a quote for (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzothiazol-2-ylsulfanyl)(phenyl)methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.