Benzene, 2-chloro-1-ethoxy-4-methyl-
TL;DR: Benzene, 2-chloro-1-ethoxy-4-methyl- (CAS 68758-67-8) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-ethoxy-4-methylbenzene
Also Known As: 3-Chloro-4-ethoxytoluene, 2-chloro-1-ethoxy-4-methylbenzene, 2-Ethoxy-5-methylchlorobenzene, Benzene, 2-chloro-1-ethoxy-4-methyl-, 2-chloro-1-ethoxy-4-methyl-benzene
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 68758-67-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C)Cl |
| InChIKey | PTOBYSVNDQASRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-chloro-1-ethoxy-4-methyl- (CAS 68758-67-8), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-chloro-1-ethoxy-4-methylbenzene.
Chemical Property Profile of Benzene, 2-chloro-1-ethoxy-4-methyl-
Property Insights of Benzene, 2-chloro-1-ethoxy-4-methyl-
The XLogP value of 3.3 indicates that Benzene, 2-chloro-1-ethoxy-4-methyl- 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, 2-chloro-1-ethoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-chloro-1-ethoxy-4-methyl- 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, 2-chloro-1-ethoxy-4-methyl-?
The CAS number of Benzene, 2-chloro-1-ethoxy-4-methyl- is 68758-67-8.
What is the molecular formula of Benzene, 2-chloro-1-ethoxy-4-methyl-?
The molecular formula of Benzene, 2-chloro-1-ethoxy-4-methyl- is C9H11ClO.
What is the molecular weight of Benzene, 2-chloro-1-ethoxy-4-methyl-?
The molecular weight of Benzene, 2-chloro-1-ethoxy-4-methyl- is 170.05 g/mol.
Where can I buy Benzene, 2-chloro-1-ethoxy-4-methyl-?
You can request a quote for Benzene, 2-chloro-1-ethoxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-chloro-1-ethoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-1-ethoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.