4-Chlorobenzyl 4-tert-butylbenzoate
TL;DR: 4-Chlorobenzyl 4-tert-butylbenzoate (CAS 474947-03-0) is a chemical compound with molecular formula C18H19ClO2 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 4-tert-butylbenzoate
Also Known As: 4-chlorobenzyl 4-tert-butylbenzoate, (4-chlorophenyl)methyl 4-tert-butylbenzoate, (4-Chlorophenyl)methyl 4-(1,1-dimethylethyl)benzoate, 4-CHLOROBENZYL 4-(TERT-BUTYL)BENZOATE, (4-chlorophenyl)methyl 4-(tert-butyl)benzoate
| Molecular Formula | C18H19ClO2 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 4.9945 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.10736 |
| Heavy Atoms | 21 |
| Complexity | 607.16174 |
Chemical Identifiers
| CAS Number | 474947-03-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl 4-tert-butylbenzoate (CAS 474947-03-0), with molecular formula C18H19ClO2 and molecular weight 302.11 g/mol. IUPAC: (4-chlorophenyl)methyl 4-tert-butylbenzoate.
Chemical Property Profile of 4-Chlorobenzyl 4-tert-butylbenzoate
Property Insights of 4-Chlorobenzyl 4-tert-butylbenzoate
The XLogP value of 4.9945 indicates that 4-Chlorobenzyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorobenzyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 2 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-Chlorobenzyl 4-tert-butylbenzoate?
The CAS number of 4-Chlorobenzyl 4-tert-butylbenzoate is 474947-03-0.
What is the molecular formula of 4-Chlorobenzyl 4-tert-butylbenzoate?
The molecular formula of 4-Chlorobenzyl 4-tert-butylbenzoate is C18H19ClO2.
What is the molecular weight of 4-Chlorobenzyl 4-tert-butylbenzoate?
The molecular weight of 4-Chlorobenzyl 4-tert-butylbenzoate is 302.11 g/mol.
Where can I buy 4-Chlorobenzyl 4-tert-butylbenzoate?
You can request a quote for 4-Chlorobenzyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.