Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester
TL;DR: Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester (CAS 56274-12-5) is a chemical compound with molecular formula C11H22NO7P and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[diethoxyphosphorylmethyl(ethoxycarbonyl)amino]acetate
Also Known As: BIM-0000331.P001, methyl n-[(diethoxyphosphoryl)methyl]-n-(ethoxycarbonyl)glycinate, Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester, methyl 2-[diethoxyphosphorylmethyl(ethoxycarbonyl)amino]acetate, Methyl [[(diethoxyphosphoryl)methyl](ethoxycarbonyl)amino]acetate #
| Molecular Formula | C11H22NO7P |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.1134 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 56274-12-5 |
|---|---|
| SMILES | CCOC(=O)N(CC(=O)OC)CP(=O)(OCC)OCC |
| InChIKey | BDPSXEYOTHCACM-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester (CAS 56274-12-5), with molecular formula C11H22NO7P and molecular weight 311.11 g/mol. IUPAC: methyl 2-[diethoxyphosphorylmethyl(ethoxycarbonyl)amino]acetate.
Chemical Property Profile of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester
Property Insights of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester has 0 hydrogen bond donor(s) and 7 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 Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester?
The CAS number of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester is 56274-12-5.
What is the molecular formula of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester?
The molecular formula of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester is C11H22NO7P.
What is the molecular weight of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester?
The molecular weight of Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester is 311.11 g/mol.
Where can I buy Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester?
You can request a quote for Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-diethylphosphonatomethyl(ethoxycarbonyl)amino-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.