tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate
TL;DR: tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate (CAS 114772-40-6) is a chemical compound with molecular formula C18H19BrO2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-(bromomethyl)phenyl]benzoate
Also Known As: 2-Boc-4'-(Bromomethyl)biphenyl, TERT-BUTYL 4'-(BROMOMETHYL)BIPHENYL-2-CARBOXYLATE, Not Available, Telmisartan EP Impurity H, Tert-butyl 2-[4-(bromomethyl)phenyl]benzoate
| Molecular Formula | C18H19BrO2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 5.2038 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.05685 |
| Heavy Atoms | 21 |
| Complexity | 624.41174 |
Chemical Identifiers
| CAS Number | 114772-40-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr |
Product Overview
tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate (CAS 114772-40-6), with molecular formula C18H19BrO2 and molecular weight 346.06 g/mol. IUPAC: tert-butyl 2-[4-(bromomethyl)phenyl]benzoate.
Chemical Property Profile of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate
Property Insights of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate
The XLogP value of 5.2038 indicates that tert-Butyl 4'-(bromomethyl)biphenyl-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'-(bromomethyl)biphenyl-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate 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 tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate?
The CAS number of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate is 114772-40-6.
What is the molecular formula of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate?
The molecular formula of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate is C18H19BrO2.
What is the molecular weight of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate?
The molecular weight of tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate is 346.06 g/mol.
Where can I buy tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate?
You can request a quote for tert-Butyl 4'-(bromomethyl)biphenyl-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'-(bromomethyl)biphenyl-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.