(4-Bromophenyl)methyl 3,5-ditert-butylbenzoate
TL;DR: (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate (CAS 664975-59-1) is a chemical compound with molecular formula C22H27BrO2 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 3,5-ditert-butylbenzoate
Also Known As: 4-bromobenzyl 3,5-ditert-butylbenzoate, (4-bromophenyl)methyl 3,5-ditert-butylbenzoate, (4-Bromophenyl)methyl 3,5-bis(1,1-dimethylethyl)benzoate, 4-BROMOBENZYL 3,5-DI(TERT-BUTYL)BENZOATE, (4-bromophenyl)methyl 3,5-bis(tert-butyl)benzoate
| Molecular Formula | C22H27BrO2 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 6.4011 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.11945 |
| Heavy Atoms | 25 |
| Complexity | 714.8272 |
Chemical Identifiers
| CAS Number | 664975-59-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)Br)C(C)(C)C |
Product Overview
(4-Bromophenyl)methyl 3,5-ditert-butylbenzoate (CAS 664975-59-1), with molecular formula C22H27BrO2 and molecular weight 402.12 g/mol. IUPAC: (4-bromophenyl)methyl 3,5-ditert-butylbenzoate.
Chemical Property Profile of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate
Property Insights of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate
The XLogP value of 6.4011 indicates that (4-Bromophenyl)methyl 3,5-ditert-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, (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl)methyl 3,5-ditert-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 (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate?
The CAS number of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate is 664975-59-1.
What is the molecular formula of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate?
The molecular formula of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate is C22H27BrO2.
What is the molecular weight of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate?
The molecular weight of (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate is 402.12 g/mol.
Where can I buy (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate?
You can request a quote for (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methyl 3,5-ditert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.