(1-Chloro-3-methylbutan-2-yl)benzene
TL;DR: (1-Chloro-3-methylbutan-2-yl)benzene (CAS 5285-30-3) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-methylbutan-2-yl)benzene
Also Known As: (1-chloro-3-methylbutan-2-yl)benzene, Benzene, [1-(chloromethyl)-2-methylpropyl], (2-methyl-1-chloromethylpropyl)benzene, [1-(chloromethyl)-2-methyl-propyl]benzene, Benzene,[1-(chloromethyl)-2-methylpropyl]
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 5285-30-3 |
|---|---|
| SMILES | CC(C)C(CCl)C1=CC=CC=C1 |
| InChIKey | AXBNMPTWUWEFAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Chloro-3-methylbutan-2-yl)benzene (CAS 5285-30-3), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: (1-chloro-3-methylbutan-2-yl)benzene.
Chemical Property Profile of (1-Chloro-3-methylbutan-2-yl)benzene
Property Insights of (1-Chloro-3-methylbutan-2-yl)benzene
The XLogP value of 3.9 indicates that (1-Chloro-3-methylbutan-2-yl)benzene 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-Chloro-3-methylbutan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloro-3-methylbutan-2-yl)benzene 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-Chloro-3-methylbutan-2-yl)benzene?
The CAS number of (1-Chloro-3-methylbutan-2-yl)benzene is 5285-30-3.
What is the molecular formula of (1-Chloro-3-methylbutan-2-yl)benzene?
The molecular formula of (1-Chloro-3-methylbutan-2-yl)benzene is C11H15Cl.
What is the molecular weight of (1-Chloro-3-methylbutan-2-yl)benzene?
The molecular weight of (1-Chloro-3-methylbutan-2-yl)benzene is 182.09 g/mol.
Where can I buy (1-Chloro-3-methylbutan-2-yl)benzene?
You can request a quote for (1-Chloro-3-methylbutan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloro-3-methylbutan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloro-3-methylbutan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.