Diethyl 1-amino-2-methylbutylphosphonate
TL;DR: Diethyl 1-amino-2-methylbutylphosphonate (CAS 20459-52-3) is a chemical compound with molecular formula C9H22NO3P and molecular weight 223.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-2-methylbutan-1-amine
Also Known As: Diethyl 1-amino-2-methylbutylphosphonate, 1-diethoxyphosphoryl-2-methylbutan-1-amine, 1-diethoxyphosphoryl-2-methyl-butan-1-amine
| Molecular Formula | C9H22NO3P |
|---|---|
| Molecular Weight | 223.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.13373 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 20459-52-3 |
|---|---|
| SMILES | CCC(C)C(N)P(=O)(OCC)OCC |
| InChIKey | WLXZADYPHWHTPD-UHFFFAOYSA-N |
Product Overview
Diethyl 1-amino-2-methylbutylphosphonate (CAS 20459-52-3), with molecular formula C9H22NO3P and molecular weight 223.13 g/mol. IUPAC: 1-diethoxyphosphoryl-2-methylbutan-1-amine.
Chemical Property Profile of Diethyl 1-amino-2-methylbutylphosphonate
Property Insights of Diethyl 1-amino-2-methylbutylphosphonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-amino-2-methylbutylphosphonate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-amino-2-methylbutylphosphonate. Following Lipinski's Rule of Five, Diethyl 1-amino-2-methylbutylphosphonate 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-amino-2-methylbutylphosphonate?
The CAS number of Diethyl 1-amino-2-methylbutylphosphonate is 20459-52-3.
What is the molecular formula of Diethyl 1-amino-2-methylbutylphosphonate?
The molecular formula of Diethyl 1-amino-2-methylbutylphosphonate is C9H22NO3P.
What is the molecular weight of Diethyl 1-amino-2-methylbutylphosphonate?
The molecular weight of Diethyl 1-amino-2-methylbutylphosphonate is 223.13 g/mol.
Where can I buy Diethyl 1-amino-2-methylbutylphosphonate?
You can request a quote for Diethyl 1-amino-2-methylbutylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-amino-2-methylbutylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-amino-2-methylbutylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.