1-(4-Chlorobutoxy)-3-methylbenzene
TL;DR: 1-(4-Chlorobutoxy)-3-methylbenzene (CAS 71648-39-0) 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)-3-methylbenzene
Also Known As: 1-(4-Chlorobutoxy)-3-methylbenzene, 4-Chlorobutyl m-tolyl ether, 4-(3-Methylphenoxy)Butyl Chloride, Benzene,1-(4-chlorobutoxy)-3-methyl-, Benzene, 1-(4-chlorobutoxy)-3-methyl-
| 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 | 71648-39-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCCCCl |
| InChIKey | FVBUVUOPHWUVCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobutoxy)-3-methylbenzene (CAS 71648-39-0), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 1-(4-chlorobutoxy)-3-methylbenzene.
Chemical Property Profile of 1-(4-Chlorobutoxy)-3-methylbenzene
Property Insights of 1-(4-Chlorobutoxy)-3-methylbenzene
The XLogP value of 4.0 indicates that 1-(4-Chlorobutoxy)-3-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)-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobutoxy)-3-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)-3-methylbenzene?
The CAS number of 1-(4-Chlorobutoxy)-3-methylbenzene is 71648-39-0.
What is the molecular formula of 1-(4-Chlorobutoxy)-3-methylbenzene?
The molecular formula of 1-(4-Chlorobutoxy)-3-methylbenzene is C11H15ClO.
What is the molecular weight of 1-(4-Chlorobutoxy)-3-methylbenzene?
The molecular weight of 1-(4-Chlorobutoxy)-3-methylbenzene is 198.08 g/mol.
Where can I buy 1-(4-Chlorobutoxy)-3-methylbenzene?
You can request a quote for 1-(4-Chlorobutoxy)-3-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)-3-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobutoxy)-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.