4-(4'-Chlorobenzyloxy)benzyl nicotinate
TL;DR: 4-(4'-Chlorobenzyloxy)benzyl nicotinate (CAS 63608-11-7) is a chemical compound with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-chlorophenyl)methoxy]phenyl]methyl pyridine-3-carboxylate
Also Known As: 4-(4'-chlorobenzyloxy)benzyl nicotinate, Kcd 232, (4-(4-Chlorobenzyloxy)phenyl)methyl nicotinate, SID:134223491, [4-[(4-chlorophenyl)methoxy]phenyl]methyl pyridine-3-carboxylate
| Molecular Formula | C20H16ClNO3 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.08188 |
| Heavy Atoms | 25 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 63608-11-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl |
| InChIKey | VAOFYKUGDPBCRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4'-Chlorobenzyloxy)benzyl nicotinate (CAS 63608-11-7), with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol. IUPAC: [4-[(4-chlorophenyl)methoxy]phenyl]methyl pyridine-3-carboxylate.
Chemical Property Profile of 4-(4'-Chlorobenzyloxy)benzyl nicotinate
Property Insights of 4-(4'-Chlorobenzyloxy)benzyl nicotinate
The XLogP value of 4.5 indicates that 4-(4'-Chlorobenzyloxy)benzyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, 4-(4'-Chlorobenzyloxy)benzyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4'-Chlorobenzyloxy)benzyl nicotinate has 0 hydrogen bond donor(s) and 4 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-(4'-Chlorobenzyloxy)benzyl nicotinate?
The CAS number of 4-(4'-Chlorobenzyloxy)benzyl nicotinate is 63608-11-7.
What is the molecular formula of 4-(4'-Chlorobenzyloxy)benzyl nicotinate?
The molecular formula of 4-(4'-Chlorobenzyloxy)benzyl nicotinate is C20H16ClNO3.
What is the molecular weight of 4-(4'-Chlorobenzyloxy)benzyl nicotinate?
The molecular weight of 4-(4'-Chlorobenzyloxy)benzyl nicotinate is 353.08 g/mol.
Where can I buy 4-(4'-Chlorobenzyloxy)benzyl nicotinate?
You can request a quote for 4-(4'-Chlorobenzyloxy)benzyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4'-Chlorobenzyloxy)benzyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4'-Chlorobenzyloxy)benzyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.