Diethyl 1-hydroxybutylphosphonate
TL;DR: Diethyl 1-hydroxybutylphosphonate (CAS 17477-67-7) is a chemical compound with molecular formula C8H19O4P and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylbutan-1-ol
Also Known As: Diethyl 1-hydroxybutylphosphonate, 1-diethoxyphosphorylbutan-1-ol, diethyl (1-hydroxybutyl)phosphonate, 1-(Diethoxyphosphinyl)-1-butanol, diethyl alpha-hydroxybutylphosphonate
| Molecular Formula | C8H19O4P |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1021 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 17477-67-7 |
|---|---|
| SMILES | CCCC(O)P(=O)(OCC)OCC |
| InChIKey | QGNCNQNIDOVSQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1-hydroxybutylphosphonate (CAS 17477-67-7), with molecular formula C8H19O4P and molecular weight 210.10 g/mol. IUPAC: 1-diethoxyphosphorylbutan-1-ol.
Chemical Property Profile of Diethyl 1-hydroxybutylphosphonate
Property Insights of Diethyl 1-hydroxybutylphosphonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-hydroxybutylphosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 1-hydroxybutylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1-hydroxybutylphosphonate has 1 hydrogen bond donor(s) and 4 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 Diethyl 1-hydroxybutylphosphonate?
The CAS number of Diethyl 1-hydroxybutylphosphonate is 17477-67-7.
What is the molecular formula of Diethyl 1-hydroxybutylphosphonate?
The molecular formula of Diethyl 1-hydroxybutylphosphonate is C8H19O4P.
What is the molecular weight of Diethyl 1-hydroxybutylphosphonate?
The molecular weight of Diethyl 1-hydroxybutylphosphonate is 210.10 g/mol.
Where can I buy Diethyl 1-hydroxybutylphosphonate?
You can request a quote for Diethyl 1-hydroxybutylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-hydroxybutylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-hydroxybutylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.