(5-Chloro-3-pyridinyl) benzoate
TL;DR: (5-Chloro-3-pyridinyl) benzoate (CAS 313368-29-5) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-3-pyridinyl) benzoate
Also Known As: (5-chloropyridin-3-yl) benzoate, 3-Pyridinol, 5-chloro-, 3-benzoate
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 2.9542 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 499.38177 |
Chemical Identifiers
| CAS Number | 313368-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC(=CN=C2)Cl |
Product Overview
(5-Chloro-3-pyridinyl) benzoate (CAS 313368-29-5), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: (5-chloro-3-pyridinyl) benzoate.
Chemical Property Profile of (5-Chloro-3-pyridinyl) benzoate
Property Insights of (5-Chloro-3-pyridinyl) benzoate
The XLogP value of 2.9542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-3-pyridinyl) benzoate. With a topological polar surface area (TPSA) of 39.19 Ų, (5-Chloro-3-pyridinyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloro-3-pyridinyl) benzoate has 0 hydrogen bond donor(s) and 3 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 (5-Chloro-3-pyridinyl) benzoate?
The CAS number of (5-Chloro-3-pyridinyl) benzoate is 313368-29-5.
What is the molecular formula of (5-Chloro-3-pyridinyl) benzoate?
The molecular formula of (5-Chloro-3-pyridinyl) benzoate is C12H8ClNO2.
What is the molecular weight of (5-Chloro-3-pyridinyl) benzoate?
The molecular weight of (5-Chloro-3-pyridinyl) benzoate is 233.02 g/mol.
Where can I buy (5-Chloro-3-pyridinyl) benzoate?
You can request a quote for (5-Chloro-3-pyridinyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-3-pyridinyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-3-pyridinyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.