Diethyl 4-aminobutylphosphonate
TL;DR: Diethyl 4-aminobutylphosphonate (CAS 53253-54-6) is a chemical compound with molecular formula C8H20NO3P and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphorylbutan-1-amine
Also Known As: diethyl (4-aminobutyl)phosphonate, 4-diethoxyphosphorylbutan-1-amine, diethyl 4-aminobutylphosphonate, 4-(Diethoxyphosphinyl)butylamine, J3.082.246C
| Molecular Formula | C8H20NO3P |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 1.9914 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 209.11809 |
| Heavy Atoms | 13 |
| Complexity | 153.46812 |
Chemical Identifiers
| CAS Number | 53253-54-6 |
|---|---|
| SMILES | CCOP(=O)(CCCCN)OCC |
Product Overview
Diethyl 4-aminobutylphosphonate (CAS 53253-54-6), with molecular formula C8H20NO3P and molecular weight 209.12 g/mol. IUPAC: 4-diethoxyphosphorylbutan-1-amine.
Chemical Property Profile of Diethyl 4-aminobutylphosphonate
Property Insights of Diethyl 4-aminobutylphosphonate
The XLogP value of 1.9914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-aminobutylphosphonate. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-aminobutylphosphonate. Following Lipinski's Rule of Five, Diethyl 4-aminobutylphosphonate 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 4-aminobutylphosphonate?
The CAS number of Diethyl 4-aminobutylphosphonate is 53253-54-6.
What is the molecular formula of Diethyl 4-aminobutylphosphonate?
The molecular formula of Diethyl 4-aminobutylphosphonate is C8H20NO3P.
What is the molecular weight of Diethyl 4-aminobutylphosphonate?
The molecular weight of Diethyl 4-aminobutylphosphonate is 209.12 g/mol.
Where can I buy Diethyl 4-aminobutylphosphonate?
You can request a quote for Diethyl 4-aminobutylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-aminobutylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-aminobutylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.