2-Chlorophenyl 4-tert-butylbenzoate
TL;DR: 2-Chlorophenyl 4-tert-butylbenzoate (CAS 496033-94-4) is a chemical compound with molecular formula C17H17ClO2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 4-tert-butylbenzoate
Also Known As: 2-chlorophenyl 4-tert-butylbenzoate, (2-chlorophenyl) 4-tert-butylbenzoate, 2-chlorophenyl 4-(tert-butyl)benzoate, AN-329/41306949
| Molecular Formula | C17H17ClO2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0917 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 496033-94-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2Cl |
| InChIKey | NWFWQFDXWMRONX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorophenyl 4-tert-butylbenzoate (CAS 496033-94-4), with molecular formula C17H17ClO2 and molecular weight 288.09 g/mol. IUPAC: (2-chlorophenyl) 4-tert-butylbenzoate.
Chemical Property Profile of 2-Chlorophenyl 4-tert-butylbenzoate
Property Insights of 2-Chlorophenyl 4-tert-butylbenzoate
The XLogP value of 5.5 indicates that 2-Chlorophenyl 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, 2-Chlorophenyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 4-tert-butylbenzoate 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 2-Chlorophenyl 4-tert-butylbenzoate?
The CAS number of 2-Chlorophenyl 4-tert-butylbenzoate is 496033-94-4.
What is the molecular formula of 2-Chlorophenyl 4-tert-butylbenzoate?
The molecular formula of 2-Chlorophenyl 4-tert-butylbenzoate is C17H17ClO2.
What is the molecular weight of 2-Chlorophenyl 4-tert-butylbenzoate?
The molecular weight of 2-Chlorophenyl 4-tert-butylbenzoate is 288.09 g/mol.
Where can I buy 2-Chlorophenyl 4-tert-butylbenzoate?
You can request a quote for 2-Chlorophenyl 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 2-Chlorophenyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.