Diethyl (1-amino-3-methylbutyl)phosphonate
TL;DR: Diethyl (1-amino-3-methylbutyl)phosphonate (CAS 77526-71-7) 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-3-methylbutan-1-amine
Also Known As: ChemDiv1_019700, diethyl (1-amino-3-methylbutyl)phosphonate, 1-diethoxyphosphoryl-3-methylbutan-1-amine, (1-amino-3-methylbutyl)diethoxyphosphino-1-one, (1-Amino-3-methylbutyl)phosphonic acid diethyl ester
| 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 | 186.0 |
Chemical Identifiers
| CAS Number | 77526-71-7 |
|---|---|
| SMILES | CCOP(=O)(C(CC(C)C)N)OCC |
| InChIKey | TVBLDWTXOYRRKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (1-amino-3-methylbutyl)phosphonate (CAS 77526-71-7), with molecular formula C9H22NO3P and molecular weight 223.13 g/mol. IUPAC: 1-diethoxyphosphoryl-3-methylbutan-1-amine.
Chemical Property Profile of Diethyl (1-amino-3-methylbutyl)phosphonate
Property Insights of Diethyl (1-amino-3-methylbutyl)phosphonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-amino-3-methylbutyl)phosphonate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (1-amino-3-methylbutyl)phosphonate. Following Lipinski's Rule of Five, Diethyl (1-amino-3-methylbutyl)phosphonate 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-3-methylbutyl)phosphonate?
The CAS number of Diethyl (1-amino-3-methylbutyl)phosphonate is 77526-71-7.
What is the molecular formula of Diethyl (1-amino-3-methylbutyl)phosphonate?
The molecular formula of Diethyl (1-amino-3-methylbutyl)phosphonate is C9H22NO3P.
What is the molecular weight of Diethyl (1-amino-3-methylbutyl)phosphonate?
The molecular weight of Diethyl (1-amino-3-methylbutyl)phosphonate is 223.13 g/mol.
Where can I buy Diethyl (1-amino-3-methylbutyl)phosphonate?
You can request a quote for Diethyl (1-amino-3-methylbutyl)phosphonate 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-3-methylbutyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-amino-3-methylbutyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.