(2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate
TL;DR: (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate (CAS 672949-89-2) is a chemical compound with molecular formula C11H7ClN2O4S and molecular weight 297.98 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 4-nitrobenzoate
Also Known As: (2-chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate, (2-chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzoate, (2-chlorothiazol-5-yl)methyl 4-nitrobenzoate, 5R-0656, (2-chloro-1,3-thiazol-5-yl)methyl4-nitrobenzoate
| Molecular Formula | C11H7ClN2O4S |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 3.0617 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.9815 |
| Heavy Atoms | 19 |
| Complexity | 611.41266 |
Chemical Identifiers
| CAS Number | 672949-89-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=CN=C(S2)Cl)[N+](=O)[O-] |
Product Overview
(2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate (CAS 672949-89-2), with molecular formula C11H7ClN2O4S and molecular weight 297.98 g/mol. IUPAC: (2-chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate
Property Insights of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate
The XLogP value of 3.0617 indicates that (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 6 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 4-nitrobenzenecarboxylate?
The CAS number of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate is 672949-89-2.
What is the molecular formula of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate?
The molecular formula of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate is C11H7ClN2O4S.
What is the molecular weight of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate?
The molecular weight of (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate is 297.98 g/mol.
Where can I buy (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate?
You can request a quote for (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate 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 4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-1,3-thiazol-5-yl)methyl 4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.