1-tert-Butoxy-4-(chloromethyl)benzene
TL;DR: 1-tert-Butoxy-4-(chloromethyl)benzene (CAS 51503-07-2) 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-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: Silane,trinonyl, 1-tert-Butoxy-4-(chloromethyl)benzene, 1-(tert-butoxy)-4-(chloromethyl)benzene, Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)-, 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 51503-07-2 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)CCl |
| InChIKey | SOOPMPABJXPFML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butoxy-4-(chloromethyl)benzene (CAS 51503-07-2), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of 1-tert-Butoxy-4-(chloromethyl)benzene
Property Insights of 1-tert-Butoxy-4-(chloromethyl)benzene
The XLogP value of 3.3 indicates that 1-tert-Butoxy-4-(chloromethyl)benzene 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-tert-Butoxy-4-(chloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butoxy-4-(chloromethyl)benzene 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-tert-Butoxy-4-(chloromethyl)benzene?
The CAS number of 1-tert-Butoxy-4-(chloromethyl)benzene is 51503-07-2.
What is the molecular formula of 1-tert-Butoxy-4-(chloromethyl)benzene?
The molecular formula of 1-tert-Butoxy-4-(chloromethyl)benzene is C11H15ClO.
What is the molecular weight of 1-tert-Butoxy-4-(chloromethyl)benzene?
The molecular weight of 1-tert-Butoxy-4-(chloromethyl)benzene is 198.08 g/mol.
Where can I buy 1-tert-Butoxy-4-(chloromethyl)benzene?
You can request a quote for 1-tert-Butoxy-4-(chloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butoxy-4-(chloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butoxy-4-(chloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.