![1-[Bromo(difluoro)methyl]-4-tert-butylbenzene structure](/static/products/1144/114467-76-4.webp)
1-[Bromo(difluoro)methyl]-4-tert-butylbenzene
TL;DR: 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene (CAS 114467-76-4) is a chemical compound with molecular formula C11H13BrF2 and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bromo(difluoro)methyl]-4-tert-butylbenzene
Also Known As: 1-[bromo(difluoro)methyl]-4-tert-butylbenzene, 1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)benzene, 1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)-benzene, benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)-, InChI=1/C11H13BrF2/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h4-7H,1-3H
| Molecular Formula | C11H13BrF2 |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.01688 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 114467-76-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(F)(F)Br |
| InChIKey | YWCLHRSEKXJCHA-UHFFFAOYSA-N |
Product Overview
1-[Bromo(difluoro)methyl]-4-tert-butylbenzene (CAS 114467-76-4), with molecular formula C11H13BrF2 and molecular weight 262.02 g/mol. IUPAC: 1-[bromo(difluoro)methyl]-4-tert-butylbenzene.
Chemical Property Profile of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene
Property Insights of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene
The XLogP value of 4.9 indicates that 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene 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 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene?
The CAS number of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene is 114467-76-4.
What is the molecular formula of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene?
The molecular formula of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene is C11H13BrF2.
What is the molecular weight of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene?
The molecular weight of 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene is 262.02 g/mol.
Where can I buy 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene?
You can request a quote for 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[Bromo(difluoro)methyl]-4-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.