4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole
TL;DR: 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole (CAS 68505-83-9) is a chemical compound with molecular formula C11H14BrClO and molecular weight 275.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(1-chloro-2-methylpropan-2-yl)-1-methoxybenzene
Also Known As: 4-bromo-2-(1-chloro-2-methylpropan-2-yl)-1-methoxybenzene, 4-bromo-2-(2-chloro-1,1-dimethylethyl)anisole, 2-(2-Methoxy-5-bromophenyl)-2-methyl-1-chloropropane, 4-bromo-2-(2-chloro-1,1-dimethylethyl)-1-methoxybenzene, 4-bromo-2-(1-chloro-2-methyl-propan-2-yl)-1-methoxy-benzene
| Molecular Formula | C11H14BrClO |
|---|---|
| Molecular Weight | 275.99 g/mol |
| LogP | 3.9741 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.99167 |
| Heavy Atoms | 14 |
| Complexity | 323.0636 |
Chemical Identifiers
| CAS Number | 68505-83-9 |
|---|---|
| SMILES | CC(C)(CCl)C1=C(C=CC(=C1)Br)OC |
Product Overview
4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole (CAS 68505-83-9), with molecular formula C11H14BrClO and molecular weight 275.99 g/mol. IUPAC: 4-bromo-2-(1-chloro-2-methylpropan-2-yl)-1-methoxybenzene.
Chemical Property Profile of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole
Property Insights of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole
The XLogP value of 3.9741 indicates that 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole has 0 hydrogen bond donor(s) and 1 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 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole?
The CAS number of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole is 68505-83-9.
What is the molecular formula of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole?
The molecular formula of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole is C11H14BrClO.
What is the molecular weight of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole?
The molecular weight of 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole is 275.99 g/mol.
Where can I buy 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole?
You can request a quote for 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2-chloro-1,1-dimethylethyl)anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.