4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
TL;DR: 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester (CAS 338398-91-7) is a chemical compound with molecular formula C16H11ClN2O2S and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
Also Known As: 5-methyl-2-(pyridin-4-yl)-1,3-thiazol-4-yl 4-chlorobenzoate, 5-methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl 4-chlorobenzenecarboxylate, (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate, 4-chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester, [5-methyl-2-(4-pyridyl)thiazol-4-yl] 4-chlorobenzoate
| Molecular Formula | C16H11ClN2O2S |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 4.38612 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.02298 |
| Heavy Atoms | 22 |
| Complexity | 800.77295 |
Chemical Identifiers
| CAS Number | 338398-91-7 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester (CAS 338398-91-7), with molecular formula C16H11ClN2O2S and molecular weight 330.02 g/mol. IUPAC: (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate.
Chemical Property Profile of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
Property Insights of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
The XLogP value of 4.38612 indicates that 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester has 0 hydrogen bond donor(s) and 5 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 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester?
The CAS number of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester is 338398-91-7.
What is the molecular formula of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester?
The molecular formula of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester is C16H11ClN2O2S.
What is the molecular weight of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester?
The molecular weight of 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester is 330.02 g/mol.
Where can I buy 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester?
You can request a quote for 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.