1,1,1-Trimethoxy-2-chloroethane
TL;DR: 1,1,1-Trimethoxy-2-chloroethane (CAS 74974-54-2) is a chemical compound with molecular formula C5H11ClO3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,1,1-trimethoxyethane
Also Known As: 2-Chloro-1,1,1-trimethoxyethane, 1,1,1-Trimethoxy-2-chloroethane, trimethoxy chloroethane, Trimethyl chloro-orthoacetate, Aprepitant impurity 51
| Molecular Formula | C5H11ClO3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.03967 |
| Heavy Atoms | 9 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 74974-54-2 |
|---|---|
| SMILES | COC(CCl)(OC)OC |
| InChIKey | NPEIUNVTLXEOLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trimethoxy-2-chloroethane (CAS 74974-54-2), with molecular formula C5H11ClO3 and molecular weight 154.04 g/mol. IUPAC: 2-chloro-1,1,1-trimethoxyethane.
Chemical Property Profile of 1,1,1-Trimethoxy-2-chloroethane
Property Insights of 1,1,1-Trimethoxy-2-chloroethane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trimethoxy-2-chloroethane. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,1-Trimethoxy-2-chloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trimethoxy-2-chloroethane has 0 hydrogen bond donor(s) and 3 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 1,1,1-Trimethoxy-2-chloroethane?
The CAS number of 1,1,1-Trimethoxy-2-chloroethane is 74974-54-2.
What is the molecular formula of 1,1,1-Trimethoxy-2-chloroethane?
The molecular formula of 1,1,1-Trimethoxy-2-chloroethane is C5H11ClO3.
What is the molecular weight of 1,1,1-Trimethoxy-2-chloroethane?
The molecular weight of 1,1,1-Trimethoxy-2-chloroethane is 154.04 g/mol.
Where can I buy 1,1,1-Trimethoxy-2-chloroethane?
You can request a quote for 1,1,1-Trimethoxy-2-chloroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trimethoxy-2-chloroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trimethoxy-2-chloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.