1-Butoxy-4-chlorobenzene
TL;DR: 1-Butoxy-4-chlorobenzene (CAS 51241-35-1) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-4-chlorobenzene
Also Known As: 1-butoxy-4-chlorobenzene, 1-butoxy-4-chloro-benzene, 4-Chlorophenylbutyl ether, 1-chloro-4-butoxybenzene, 4-butoxy-1-chlorobenzene
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 51241-35-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)Cl |
| InChIKey | HYGHLCXEDCMMHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butoxy-4-chlorobenzene (CAS 51241-35-1), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 1-butoxy-4-chlorobenzene.
Chemical Property Profile of 1-Butoxy-4-chlorobenzene
Property Insights of 1-Butoxy-4-chlorobenzene
The XLogP value of 3.9 indicates that 1-Butoxy-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Butoxy-4-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-4-chlorobenzene has 0 hydrogen bond donor(s) and 1 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-Butoxy-4-chlorobenzene?
The CAS number of 1-Butoxy-4-chlorobenzene is 51241-35-1.
What is the molecular formula of 1-Butoxy-4-chlorobenzene?
The molecular formula of 1-Butoxy-4-chlorobenzene is C10H13ClO.
What is the molecular weight of 1-Butoxy-4-chlorobenzene?
The molecular weight of 1-Butoxy-4-chlorobenzene is 184.07 g/mol.
Where can I buy 1-Butoxy-4-chlorobenzene?
You can request a quote for 1-Butoxy-4-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.