2-Chlorobenzyl nicotinate
TL;DR: 2-Chlorobenzyl nicotinate (CAS 1067902-28-6) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl pyridine-3-carboxylate
Also Known As: 2-Chlorobenzyl nicotinate, 2-Chlorobenzylnicotinate, (2-chlorophenyl)methyl Pyridine-3-carboxylate
| Molecular Formula | C13H10ClNO2 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 3.092 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04001 |
| Heavy Atoms | 17 |
| Complexity | 513.8377 |
Chemical Identifiers
| CAS Number | 1067902-28-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC(=O)C2=CN=CC=C2)Cl |
Product Overview
2-Chlorobenzyl nicotinate (CAS 1067902-28-6), with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol. IUPAC: (2-chlorophenyl)methyl pyridine-3-carboxylate.
Chemical Property Profile of 2-Chlorobenzyl nicotinate
Property Insights of 2-Chlorobenzyl nicotinate
The XLogP value of 3.092 indicates that 2-Chlorobenzyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Chlorobenzyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzyl nicotinate 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 2-Chlorobenzyl nicotinate?
The CAS number of 2-Chlorobenzyl nicotinate is 1067902-28-6.
What is the molecular formula of 2-Chlorobenzyl nicotinate?
The molecular formula of 2-Chlorobenzyl nicotinate is C13H10ClNO2.
What is the molecular weight of 2-Chlorobenzyl nicotinate?
The molecular weight of 2-Chlorobenzyl nicotinate is 247.04 g/mol.
Where can I buy 2-Chlorobenzyl nicotinate?
You can request a quote for 2-Chlorobenzyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.