Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
TL;DR: Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate (CAS 873857-08-0) is a chemical compound with molecular formula C19H12N2O2S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
Also Known As: phenyl 2-(benzo[d]thiazol-2-yl)nicotinate, phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate, VU0610667-1, phenyl 2-benzothiazol-2-ylpyridine-3-carboxylate, F3321-0024
| Molecular Formula | C19H12N2O2S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 4.5775 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.06195 |
| Heavy Atoms | 24 |
| Complexity | 979.0033 |
Chemical Identifiers
| CAS Number | 873857-08-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate (CAS 873857-08-0), with molecular formula C19H12N2O2S and molecular weight 332.06 g/mol. IUPAC: phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate.
Chemical Property Profile of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
Property Insights of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
The XLogP value of 4.5775 indicates that Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate 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 Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate?
The CAS number of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate is 873857-08-0.
What is the molecular formula of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate?
The molecular formula of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate is C19H12N2O2S.
What is the molecular weight of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate?
The molecular weight of Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate is 332.06 g/mol.
Where can I buy Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate?
You can request a quote for Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.