2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated
TL;DR: 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated (CAS 68411-17-6) is a chemical compound with molecular formula C8H14Cl2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-yne-1,4-diol;1-chloro-2-(2-chloroethoxy)ethane
Also Known As: EINECS 270-107-7, 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated, but-2-yne-1,4-diol; 1-chloro-2-(2-chloroethoxy)ethane, 270-107-7, RefChem:86064
| Molecular Formula | C8H14Cl2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 0.455 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.032 |
| Heavy Atoms | 13 |
| Complexity | 119.08617 |
Chemical Identifiers
| CAS Number | 68411-17-6 |
|---|---|
| SMILES | C(CCl)OCCCl.C(C#CCO)O |
Product Overview
2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated (CAS 68411-17-6), with molecular formula C8H14Cl2O3 and molecular weight 228.03 g/mol. IUPAC: but-2-yne-1,4-diol;1-chloro-2-(2-chloroethoxy)ethane.
Chemical Property Profile of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated
Property Insights of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated
The XLogP value of 0.455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated. With a topological polar surface area (TPSA) of 49.69 Ų, 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated has 2 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 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated?
The CAS number of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated is 68411-17-6.
What is the molecular formula of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated?
The molecular formula of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated is C8H14Cl2O3.
What is the molecular weight of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated?
The molecular weight of 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated is 228.03 g/mol.
Where can I buy 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated?
You can request a quote for 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyne-1,4-diol, ethers with bis(2-chloroethyl) ether, sulfonated and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.