Benzene, (3-chlorobutyl)
TL;DR: Benzene, (3-chlorobutyl) (CAS 4830-94-8) 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.
3-chlorobutylbenzene
Also Known As: 3-chlorobutylbenzene, (3-chlorobutyl)benzene, Benzene, (3-chlorobutyl), 3-chloro-1-phenylbutane, 1-Phenyl-3-chlorobutane
| 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 | 3 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 4830-94-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)Cl |
| InChIKey | MPRASCUUHIQYFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (3-chlorobutyl) (CAS 4830-94-8), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 3-chlorobutylbenzene.
Chemical Property Profile of Benzene, (3-chlorobutyl)
Property Insights of Benzene, (3-chlorobutyl)
The XLogP value of 3.6 indicates that Benzene, (3-chlorobutyl) 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, (3-chlorobutyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-chlorobutyl) 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, (3-chlorobutyl)?
The CAS number of Benzene, (3-chlorobutyl) is 4830-94-8.
What is the molecular formula of Benzene, (3-chlorobutyl)?
The molecular formula of Benzene, (3-chlorobutyl) is C10H13Cl.
What is the molecular weight of Benzene, (3-chlorobutyl)?
The molecular weight of Benzene, (3-chlorobutyl) is 168.07 g/mol.
Where can I buy Benzene, (3-chlorobutyl)?
You can request a quote for Benzene, (3-chlorobutyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3-chlorobutyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3-chlorobutyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.