2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene
TL;DR: 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene (CAS 25391-06-4) is a chemical compound with molecular formula C12H17Br and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethyl)-1-methyl-4-propan-2-ylbenzene
Also Known As: 2-(2-Bromoethyl)-4-isopropyltoluene, 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene, 2-(2-bromo-ethyl)-4-isopropyl-1-methyl-benzene, J1.413.265A, 2-(2-bromoethyl)-1-methyl-4-propan-2-ylbenzene
| Molecular Formula | C12H17Br |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.05136 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 25391-06-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)CCBr |
| InChIKey | RORXVEDWLJZXRY-UHFFFAOYSA-N |
Product Overview
2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene (CAS 25391-06-4), with molecular formula C12H17Br and molecular weight 240.05 g/mol. IUPAC: 2-(2-bromoethyl)-1-methyl-4-propan-2-ylbenzene.
Chemical Property Profile of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene
Property Insights of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene
The XLogP value of 4.4 indicates that 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene has 0 hydrogen bond donor(s) and 0 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 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene?
The CAS number of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene is 25391-06-4.
What is the molecular formula of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene?
The molecular formula of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene is C12H17Br.
What is the molecular weight of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene?
The molecular weight of 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene is 240.05 g/mol.
Where can I buy 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene?
You can request a quote for 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoethyl)-4-isopropyl-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.