3,4-Dichlorobenzyl naphthalene-1-carboxylate
TL;DR: 3,4-Dichlorobenzyl naphthalene-1-carboxylate (CAS 475422-76-5) is a chemical compound with molecular formula C18H12Cl2O2 and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl naphthalene-1-carboxylate
Also Known As: 3,4-dichlorobenzyl naphthalene-1-carboxylate, (3,4-Dichlorophenyl)methyl 1-naphthalenecarboxylate, (3,4-dichlorophenyl)methyl naphthalene-1-carboxylate
| Molecular Formula | C18H12Cl2O2 |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 5.5036 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.02142 |
| Heavy Atoms | 22 |
| Complexity | 838.1148 |
Chemical Identifiers
| CAS Number | 475422-76-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-Dichlorobenzyl naphthalene-1-carboxylate (CAS 475422-76-5), with molecular formula C18H12Cl2O2 and molecular weight 330.02 g/mol. IUPAC: (3,4-dichlorophenyl)methyl naphthalene-1-carboxylate.
Chemical Property Profile of 3,4-Dichlorobenzyl naphthalene-1-carboxylate
Property Insights of 3,4-Dichlorobenzyl naphthalene-1-carboxylate
The XLogP value of 5.5036 indicates that 3,4-Dichlorobenzyl naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dichlorobenzyl naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyl naphthalene-1-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dichlorobenzyl naphthalene-1-carboxylate?
The CAS number of 3,4-Dichlorobenzyl naphthalene-1-carboxylate is 475422-76-5.
What is the molecular formula of 3,4-Dichlorobenzyl naphthalene-1-carboxylate?
The molecular formula of 3,4-Dichlorobenzyl naphthalene-1-carboxylate is C18H12Cl2O2.
What is the molecular weight of 3,4-Dichlorobenzyl naphthalene-1-carboxylate?
The molecular weight of 3,4-Dichlorobenzyl naphthalene-1-carboxylate is 330.02 g/mol.
Where can I buy 3,4-Dichlorobenzyl naphthalene-1-carboxylate?
You can request a quote for 3,4-Dichlorobenzyl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzyl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzyl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.