(3,5-Dimethylphenyl) 4-tert-butylbenzoate
TL;DR: (3,5-Dimethylphenyl) 4-tert-butylbenzoate (CAS 304673-86-7) is a chemical compound with molecular formula C19H22O2 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 4-tert-butylbenzoate
Also Known As: (3,5-dimethylphenyl) 4-tert-butylbenzoate, BAS 00581455, 3,5-dimethylphenyl 4-(1,1-dimethylethyl)benzoate, 3,5-dimethylphenyl 4-(tert-butyl)benzoate, 4-tert-Butyl-benzoic acid 3,5-dimethyl-phenyl ester
| Molecular Formula | C19H22O2 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.162 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 304673-86-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C |
| InChIKey | VNEQEYNRXMLBCV-UHFFFAOYSA-N |
Product Overview
(3,5-Dimethylphenyl) 4-tert-butylbenzoate (CAS 304673-86-7), with molecular formula C19H22O2 and molecular weight 282.16 g/mol. IUPAC: (3,5-dimethylphenyl) 4-tert-butylbenzoate.
Chemical Property Profile of (3,5-Dimethylphenyl) 4-tert-butylbenzoate
Property Insights of (3,5-Dimethylphenyl) 4-tert-butylbenzoate
The XLogP value of 5.7 indicates that (3,5-Dimethylphenyl) 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, (3,5-Dimethylphenyl) 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethylphenyl) 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 (3,5-Dimethylphenyl) 4-tert-butylbenzoate?
The CAS number of (3,5-Dimethylphenyl) 4-tert-butylbenzoate is 304673-86-7.
What is the molecular formula of (3,5-Dimethylphenyl) 4-tert-butylbenzoate?
The molecular formula of (3,5-Dimethylphenyl) 4-tert-butylbenzoate is C19H22O2.
What is the molecular weight of (3,5-Dimethylphenyl) 4-tert-butylbenzoate?
The molecular weight of (3,5-Dimethylphenyl) 4-tert-butylbenzoate is 282.16 g/mol.
Where can I buy (3,5-Dimethylphenyl) 4-tert-butylbenzoate?
You can request a quote for (3,5-Dimethylphenyl) 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 (3,5-Dimethylphenyl) 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylphenyl) 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.