(6-Chloropyridin-3-yl)methyl 4-chlorobenzoate
TL;DR: (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate (CAS 400077-01-2) is a chemical compound with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3-pyridinyl)methyl 4-chlorobenzoate
Also Known As: (6-chloropyridin-3-yl)methyl 4-chlorobenzoate, 12G-413S, (6-chloropyridin-3-yl)methyl4-chlorobenzoate, (6-chloro-3-pyridinyl)methyl 4-chlorobenzenecarboxylate
| Molecular Formula | C13H9Cl2NO2 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 3.7454 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00104 |
| Heavy Atoms | 18 |
| Complexity | 537.9226 |
Chemical Identifiers
| CAS Number | 400077-01-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=CN=C(C=C2)Cl)Cl |
Product Overview
(6-Chloropyridin-3-yl)methyl 4-chlorobenzoate (CAS 400077-01-2), with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol. IUPAC: (6-chloro-3-pyridinyl)methyl 4-chlorobenzoate.
Chemical Property Profile of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate
Property Insights of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate
The XLogP value of 3.7454 indicates that (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate 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 (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate?
The CAS number of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate is 400077-01-2.
What is the molecular formula of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate?
The molecular formula of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate is C13H9Cl2NO2.
What is the molecular weight of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate?
The molecular weight of (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate is 281.00 g/mol.
Where can I buy (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate?
You can request a quote for (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-Chloropyridin-3-yl)methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.