(2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate
TL;DR: (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate (CAS 672950-01-5) is a chemical compound with molecular formula C11H7Cl2NO2S and molecular weight 286.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate
Also Known As: Bionet2_000556, (2-chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate, (2-chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzenecarboxylate, (2-chlorothiazol-5-yl)methyl 3-chlorobenzoate, (2-chloro-1,3-thiazol-5-yl)methyl3-chlorobenzoate
| Molecular Formula | C11H7Cl2NO2S |
|---|---|
| Molecular Weight | 286.96 g/mol |
| LogP | 3.8069 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.95746 |
| Heavy Atoms | 17 |
| Complexity | 541.77264 |
Chemical Identifiers
| CAS Number | 672950-01-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)OCC2=CN=C(S2)Cl |
Product Overview
(2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate (CAS 672950-01-5), with molecular formula C11H7Cl2NO2S and molecular weight 286.96 g/mol. IUPAC: (2-chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate.
Chemical Property Profile of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate
Property Insights of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate
The XLogP value of 3.8069 indicates that (2-Chloro-1,3-thiazol-5-yl)methyl 3-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, (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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 (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate?
The CAS number of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate is 672950-01-5.
What is the molecular formula of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate?
The molecular formula of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate is C11H7Cl2NO2S.
What is the molecular weight of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate?
The molecular weight of (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate is 286.96 g/mol.
Where can I buy (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate?
You can request a quote for (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-1,3-thiazol-5-yl)methyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.