![Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] structure](/static/products/5309/5309-03-5.webp)
Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]
TL;DR: Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] (CAS 5309-03-5) is a chemical compound with molecular formula C12H28O6P2 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis[[ethoxy(ethyl)phosphoryl]oxy]butane
Also Known As: butane-1,4-diyl diethyl bis[ethyl(phosphonate)], 1,4-Bis-(ethoxy-ethyl-phosphinyloxy)-butan, 1,4-bis[[ethoxy(ethyl)phosphoryl]oxy]butane, Phosphonic acid, ethyl-, ethyl ester, diester wtih 1,4-butanediol, Phosphonic acid,ethyl-, ethyl ester, diester with 1,4-butanediol (7CI,8CI)
| Molecular Formula | C12H28O6P2 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 330.1361 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 5309-03-5 |
|---|---|
| SMILES | CCOP(=O)(CC)OCCCCOP(=O)(CC)OCC |
| InChIKey | QHXHEDUSWYCAHZ-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] (CAS 5309-03-5), with molecular formula C12H28O6P2 and molecular weight 330.14 g/mol. IUPAC: 1,4-bis[[ethoxy(ethyl)phosphoryl]oxy]butane.
Chemical Property Profile of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]
Property Insights of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]. Following Lipinski's Rule of Five, Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] has 0 hydrogen bond donor(s) and 6 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 Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]?
The CAS number of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] is 5309-03-5.
What is the molecular formula of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]?
The molecular formula of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] is C12H28O6P2.
What is the molecular weight of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]?
The molecular weight of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] is 330.14 g/mol.
Where can I buy Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]?
You can request a quote for Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl diethyl bis[ethyl(phosphonate)] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.