1-(4-Chlorobutoxy)-2-methylbenzene
TL;DR: 1-(4-Chlorobutoxy)-2-methylbenzene (CAS 83732-48-3) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobutoxy)-2-methylbenzene
Also Known As: 1-(4-Chlorobutoxy)-2-methylbenzene, Ether, 4-chlorobutyl o-tolyl, 4-Chlorobutyl o-tolyl ether, 4-chlorobutyl benzyl ether, 4-(2-Methylphenoxy)Butyl Chloride
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 83732-48-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OCCCCCl |
| InChIKey | GADHSOUSWKQCEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobutoxy)-2-methylbenzene (CAS 83732-48-3), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 1-(4-chlorobutoxy)-2-methylbenzene.
Chemical Property Profile of 1-(4-Chlorobutoxy)-2-methylbenzene
Property Insights of 1-(4-Chlorobutoxy)-2-methylbenzene
The XLogP value of 4.0 indicates that 1-(4-Chlorobutoxy)-2-methylbenzene 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-(4-Chlorobutoxy)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobutoxy)-2-methylbenzene 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-(4-Chlorobutoxy)-2-methylbenzene?
The CAS number of 1-(4-Chlorobutoxy)-2-methylbenzene is 83732-48-3.
What is the molecular formula of 1-(4-Chlorobutoxy)-2-methylbenzene?
The molecular formula of 1-(4-Chlorobutoxy)-2-methylbenzene is C11H15ClO.
What is the molecular weight of 1-(4-Chlorobutoxy)-2-methylbenzene?
The molecular weight of 1-(4-Chlorobutoxy)-2-methylbenzene is 198.08 g/mol.
Where can I buy 1-(4-Chlorobutoxy)-2-methylbenzene?
You can request a quote for 1-(4-Chlorobutoxy)-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobutoxy)-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobutoxy)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.