3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate (CAS 723758-47-2) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) 2-methylbenzoate
Also Known As: 3-tert-butyl-4-hydroxyphenyl 2-methylbenzoate, (3-tert-butyl-4-hydroxyphenyl) 2-methylbenzoate, AN-652/42190793
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.21732 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 666.40393 |
Chemical Identifiers
| CAS Number | 723758-47-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)O)C(C)(C)C |
Product Overview
3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate (CAS 723758-47-2), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) 2-methylbenzoate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate
The XLogP value of 4.21732 indicates that 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate 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-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate has 1 hydrogen bond donor(s) and 3 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 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate is 723758-47-2.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate is C18H20O3.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate is 284.14 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.