(4-Chlorobutyl)benzene
TL;DR: (4-Chlorobutyl)benzene (CAS 4830-93-7) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobutylbenzene
Also Known As: (4-Chlorobutyl)benzene, 1-Chloro-4-phenylbutane, 4-Phenylbutyl chloride, 4-chlorobutylbenzene, Benzene, (4-chlorobutyl)-
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 4830-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCl |
| InChIKey | FLLZCZIHURYEQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chlorobutyl)benzene (CAS 4830-93-7), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 4-chlorobutylbenzene.
Chemical Property Profile of (4-Chlorobutyl)benzene
Property Insights of (4-Chlorobutyl)benzene
The XLogP value of 3.6 indicates that (4-Chlorobutyl)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, (4-Chlorobutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorobutyl)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 (4-Chlorobutyl)benzene?
The CAS number of (4-Chlorobutyl)benzene is 4830-93-7.
What is the molecular formula of (4-Chlorobutyl)benzene?
The molecular formula of (4-Chlorobutyl)benzene is C10H13Cl.
What is the molecular weight of (4-Chlorobutyl)benzene?
The molecular weight of (4-Chlorobutyl)benzene is 168.07 g/mol.
Where can I buy (4-Chlorobutyl)benzene?
You can request a quote for (4-Chlorobutyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorobutyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorobutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.