Dimethyl (3-amino-3-oxopropyl)phosphonate
TL;DR: Dimethyl (3-amino-3-oxopropyl)phosphonate (CAS 2526-69-4) is a chemical compound with molecular formula C5H12NO4P and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dimethoxyphosphorylpropanamide
Also Known As: 3-dimethoxyphosphorylpropanamide, Dimethyl (3-amino-3-oxopropyl)phosphonate, dimethyl(3-amino-3-oxopropyl)phosphonate, dimethyl (2-carbamoylethyl)phosphonate, (3-Amino-3-oxopropyl)phosphonic acid dimethyl ester
| Molecular Formula | C5H12NO4P |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.0504 |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 2526-69-4 |
|---|---|
| SMILES | COP(=O)(CCC(=O)N)OC |
| InChIKey | LSCSYJWMZUCJDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (3-amino-3-oxopropyl)phosphonate (CAS 2526-69-4), with molecular formula C5H12NO4P and molecular weight 181.05 g/mol. IUPAC: 3-dimethoxyphosphorylpropanamide.
Chemical Property Profile of Dimethyl (3-amino-3-oxopropyl)phosphonate
Property Insights of Dimethyl (3-amino-3-oxopropyl)phosphonate
The XLogP value of -1.7 indicates that Dimethyl (3-amino-3-oxopropyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (3-amino-3-oxopropyl)phosphonate. Following Lipinski's Rule of Five, Dimethyl (3-amino-3-oxopropyl)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 Dimethyl (3-amino-3-oxopropyl)phosphonate?
The CAS number of Dimethyl (3-amino-3-oxopropyl)phosphonate is 2526-69-4.
What is the molecular formula of Dimethyl (3-amino-3-oxopropyl)phosphonate?
The molecular formula of Dimethyl (3-amino-3-oxopropyl)phosphonate is C5H12NO4P.
What is the molecular weight of Dimethyl (3-amino-3-oxopropyl)phosphonate?
The molecular weight of Dimethyl (3-amino-3-oxopropyl)phosphonate is 181.05 g/mol.
Where can I buy Dimethyl (3-amino-3-oxopropyl)phosphonate?
You can request a quote for Dimethyl (3-amino-3-oxopropyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (3-amino-3-oxopropyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (3-amino-3-oxopropyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.