Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
TL;DR: Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- (CAS 51503-06-1) 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)-3-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 1-tert-Butoxy-3-(chloromethyl)benzene, 1-Chloromethyl-3-(1,1-dimethylethoxy)benzene, 1-tert-Butoxy-3-(chloromethyl)benzene #, L-Phenylglycine methyl ester hydrochloride, Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.4 |
| 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 | 151.0 |
Chemical Identifiers
| CAS Number | 51503-06-1 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=CC(=C1)CCl |
| InChIKey | YAQRKOUJVDPCMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- (CAS 51503-06-1), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
Property Insights of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
The XLogP value of 3.4 indicates that Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- 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 Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-?
The CAS number of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- is 51503-06-1.
What is the molecular formula of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-?
The molecular formula of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- is C11H15ClO.
What is the molecular weight of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-?
The molecular weight of Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- is 198.08 g/mol.
Where can I buy Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-?
You can request a quote for Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.