(3-Chloro-3-methylbutyl)benzene
TL;DR: (3-Chloro-3-methylbutyl)benzene (CAS 4830-95-9) 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.
(3-chloro-3-methylbutyl)benzene
Also Known As: (3-Chloro-3-methylbutyl)benzene, 3-Chloro-3-methylbutylbenzene, 1-chloro-3-isopentylbenzene, Benzene, (3-chloro-3-methylbutyl)-, 1-Phenyl-3-chloro-3-methylbutane
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 3.4 |
| 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 | 123.0 |
Chemical Identifiers
| CAS Number | 4830-95-9 |
|---|---|
| SMILES | CC(C)(CCC1=CC=CC=C1)Cl |
| InChIKey | GCAZETCXAVCJCN-UHFFFAOYSA-N |
Product Overview
(3-Chloro-3-methylbutyl)benzene (CAS 4830-95-9), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: (3-chloro-3-methylbutyl)benzene.
Chemical Property Profile of (3-Chloro-3-methylbutyl)benzene
Property Insights of (3-Chloro-3-methylbutyl)benzene
The XLogP value of 3.4 indicates that (3-Chloro-3-methylbutyl)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, (3-Chloro-3-methylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-3-methylbutyl)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 (3-Chloro-3-methylbutyl)benzene?
The CAS number of (3-Chloro-3-methylbutyl)benzene is 4830-95-9.
What is the molecular formula of (3-Chloro-3-methylbutyl)benzene?
The molecular formula of (3-Chloro-3-methylbutyl)benzene is C11H15Cl.
What is the molecular weight of (3-Chloro-3-methylbutyl)benzene?
The molecular weight of (3-Chloro-3-methylbutyl)benzene is 182.09 g/mol.
Where can I buy (3-Chloro-3-methylbutyl)benzene?
You can request a quote for (3-Chloro-3-methylbutyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-3-methylbutyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-3-methylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.