Ether, bis(1-chloroethyl)
TL;DR: Ether, bis(1-chloroethyl) (CAS 6986-48-7) is a chemical compound with molecular formula C4H8Cl2O and molecular weight 142.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-(1-chloroethoxy)ethane
Also Known As: Bis(alpha-chloroethyl) ether, 1-chloroethyl ether, ETHER, BIS(1-CHLOROETHYL), methylchloromethylether, methyl-chloromethyl ether
| Molecular Formula | C4H8Cl2O |
|---|---|
| Molecular Weight | 142.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.99522 |
| Heavy Atoms | 7 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 6986-48-7 |
|---|---|
| SMILES | CC(OC(C)Cl)Cl |
| InChIKey | OBQPKGCVMCIETH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ether, bis(1-chloroethyl) (CAS 6986-48-7), with molecular formula C4H8Cl2O and molecular weight 142.00 g/mol. IUPAC: 1-chloro-1-(1-chloroethoxy)ethane.
Chemical Property Profile of Ether, bis(1-chloroethyl)
Property Insights of Ether, bis(1-chloroethyl)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ether, bis(1-chloroethyl). With a topological polar surface area (TPSA) of 9.2 Ų, Ether, bis(1-chloroethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, bis(1-chloroethyl) 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 Ether, bis(1-chloroethyl)?
The CAS number of Ether, bis(1-chloroethyl) is 6986-48-7.
What is the molecular formula of Ether, bis(1-chloroethyl)?
The molecular formula of Ether, bis(1-chloroethyl) is C4H8Cl2O.
What is the molecular weight of Ether, bis(1-chloroethyl)?
The molecular weight of Ether, bis(1-chloroethyl) is 142.00 g/mol.
Where can I buy Ether, bis(1-chloroethyl)?
You can request a quote for Ether, bis(1-chloroethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, bis(1-chloroethyl)?
Yes, KEHONG BIO provides custom synthesis services for Ether, bis(1-chloroethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.