Tert-butyl 4'-methylbiphenyl-2-carboxylate
TL;DR: Tert-butyl 4'-methylbiphenyl-2-carboxylate (CAS 114772-36-0) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-methylphenyl)benzoate
Also Known As: TERT-BUTYL 4'-METHYLBIPHENYL-2-CARBOXYLATE, Tert-butyl 2-(4-methylphenyl)benzoate, tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate, tert-butyl 2-(p-tolyl)benzoate, 2437AA
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 4.61732 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 604.0605 |
Chemical Identifiers
| CAS Number | 114772-36-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C |
Product Overview
Tert-butyl 4'-methylbiphenyl-2-carboxylate (CAS 114772-36-0), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: tert-butyl 2-(4-methylphenyl)benzoate.
Chemical Property Profile of Tert-butyl 4'-methylbiphenyl-2-carboxylate
Property Insights of Tert-butyl 4'-methylbiphenyl-2-carboxylate
The XLogP value of 4.61732 indicates that Tert-butyl 4'-methylbiphenyl-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 4'-methylbiphenyl-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4'-methylbiphenyl-2-carboxylate 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 Tert-butyl 4'-methylbiphenyl-2-carboxylate?
The CAS number of Tert-butyl 4'-methylbiphenyl-2-carboxylate is 114772-36-0.
What is the molecular formula of Tert-butyl 4'-methylbiphenyl-2-carboxylate?
The molecular formula of Tert-butyl 4'-methylbiphenyl-2-carboxylate is C18H20O2.
What is the molecular weight of Tert-butyl 4'-methylbiphenyl-2-carboxylate?
The molecular weight of Tert-butyl 4'-methylbiphenyl-2-carboxylate is 268.15 g/mol.
Where can I buy Tert-butyl 4'-methylbiphenyl-2-carboxylate?
You can request a quote for Tert-butyl 4'-methylbiphenyl-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4'-methylbiphenyl-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4'-methylbiphenyl-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.