1-(4'-Isobutylphenyl)ethyl chloride
TL;DR: 1-(4'-Isobutylphenyl)ethyl chloride (CAS 62049-65-4) is a chemical compound with molecular formula C12H17Cl and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chloroethyl)-4-(2-methylpropyl)benzene
Also Known As: 1-(1-Chloroethyl)-4-isobutylbenzene, 1-(4'-isobutylphenyl)ethyl chloride, EINECS 263-391-9, 1-(1-chloroethyl)-4-(2-methylpropyl)benzene, 1-(4-isobutylphenyl)ethyl chloride
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 4.1849 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 246.33191 |
Chemical Identifiers
| CAS Number | 62049-65-4 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)Cl |
Product Overview
1-(4'-Isobutylphenyl)ethyl chloride (CAS 62049-65-4), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 1-(1-chloroethyl)-4-(2-methylpropyl)benzene.
Chemical Property Profile of 1-(4'-Isobutylphenyl)ethyl chloride
Property Insights of 1-(4'-Isobutylphenyl)ethyl chloride
The XLogP value of 4.1849 indicates that 1-(4'-Isobutylphenyl)ethyl chloride 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-(4'-Isobutylphenyl)ethyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4'-Isobutylphenyl)ethyl chloride 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 1-(4'-Isobutylphenyl)ethyl chloride?
The CAS number of 1-(4'-Isobutylphenyl)ethyl chloride is 62049-65-4.
What is the molecular formula of 1-(4'-Isobutylphenyl)ethyl chloride?
The molecular formula of 1-(4'-Isobutylphenyl)ethyl chloride is C12H17Cl.
What is the molecular weight of 1-(4'-Isobutylphenyl)ethyl chloride?
The molecular weight of 1-(4'-Isobutylphenyl)ethyl chloride is 196.10 g/mol.
Where can I buy 1-(4'-Isobutylphenyl)ethyl chloride?
You can request a quote for 1-(4'-Isobutylphenyl)ethyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Isobutylphenyl)ethyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Isobutylphenyl)ethyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.