3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate (CAS 129091-90-3) is a chemical compound with molecular formula C17H16Cl2O3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) 2,4-dichlorobenzoate
Also Known As: 3-tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate, (3-tert-butyl-4-hydroxyphenyl) 2,4-dichlorobenzoate, 3-(t-butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate, AN-652/42190694
| Molecular Formula | C17H16Cl2O3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 5.2157 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.04764 |
| Heavy Atoms | 22 |
| Complexity | 718.32935 |
Chemical Identifiers
| CAS Number | 129091-90-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)O |
Product Overview
3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate (CAS 129091-90-3), with molecular formula C17H16Cl2O3 and molecular weight 338.05 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) 2,4-dichlorobenzoate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate
The XLogP value of 5.2157 indicates that 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate is 129091-90-3.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate is C17H16Cl2O3.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate is 338.05 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.