Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-
TL;DR: Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- (CAS 39905-45-8) is a chemical compound with molecular formula C16H10ClNO2S and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid
Also Known As: 3-(4-(4-Chlorophenyl)-2-thiazolyl)benzoic acid, Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-, 3-(4-p-Chlorphenyl-2-thiazolyl)-benzoesaeure, 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid, 3-[4- -1,3-thiazol-2-yl]benzoicacid
| Molecular Formula | C16H10ClNO2S |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0121 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 39905-45-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)Cl |
| InChIKey | YKMSZGUJLCJGLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- (CAS 39905-45-8), with molecular formula C16H10ClNO2S and molecular weight 315.01 g/mol. IUPAC: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-
Property Insights of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-
The XLogP value of 4.4 indicates that Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- has 1 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 Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-?
The CAS number of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- is 39905-45-8.
What is the molecular formula of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-?
The molecular formula of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- is C16H10ClNO2S.
What is the molecular weight of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-?
The molecular weight of Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- is 315.01 g/mol.
Where can I buy Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-?
You can request a quote for Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.