![Benzene, [1-chloro-4-(3-methylbutyl)] structure](/static/products/142/14276-94-9.png)
Benzene, [1-chloro-4-(3-methylbutyl)]
TL;DR: Benzene, [1-chloro-4-(3-methylbutyl)] (CAS 14276-94-9) 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.
1-chloro-4-(3-methylbutyl)benzene
Also Known As: (3-methylbutyl)-4-chlorobenzene, Benzene, [1-chloro-4-(3-methylbutyl)], 1-chloro-4-(3-methylbutyl)benzene
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.7 |
| 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 | 112.0 |
Chemical Identifiers
| CAS Number | 14276-94-9 |
|---|---|
| SMILES | CC(C)CCC1=CC=C(C=C1)Cl |
| InChIKey | XZUSXWMBZDIECA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [1-chloro-4-(3-methylbutyl)] (CAS 14276-94-9), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-chloro-4-(3-methylbutyl)benzene.
Chemical Property Profile of Benzene, [1-chloro-4-(3-methylbutyl)]
Property Insights of Benzene, [1-chloro-4-(3-methylbutyl)]
The XLogP value of 4.7 indicates that Benzene, [1-chloro-4-(3-methylbutyl)] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, [1-chloro-4-(3-methylbutyl)] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [1-chloro-4-(3-methylbutyl)] 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 Benzene, [1-chloro-4-(3-methylbutyl)]?
The CAS number of Benzene, [1-chloro-4-(3-methylbutyl)] is 14276-94-9.
What is the molecular formula of Benzene, [1-chloro-4-(3-methylbutyl)]?
The molecular formula of Benzene, [1-chloro-4-(3-methylbutyl)] is C11H15Cl.
What is the molecular weight of Benzene, [1-chloro-4-(3-methylbutyl)]?
The molecular weight of Benzene, [1-chloro-4-(3-methylbutyl)] is 182.09 g/mol.
Where can I buy Benzene, [1-chloro-4-(3-methylbutyl)]?
You can request a quote for Benzene, [1-chloro-4-(3-methylbutyl)] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [1-chloro-4-(3-methylbutyl)]?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [1-chloro-4-(3-methylbutyl)] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.