Phosphorisocyanatidic acid, diethyl ester
TL;DR: Phosphorisocyanatidic acid, diethyl ester (CAS 20133-63-5) is a chemical compound with molecular formula C5H10NO4P and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(isocyanato)phosphoryl]oxyethane
Also Known As: Diethoxyphosphoryl isocyanate, Diethoxyphosphinyl isocyanate, Diethyl isocyanatidophosphate, DEPIC, Phosphorisocyanatidic acid, diethyl ester
| Molecular Formula | C5H10NO4P |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.03474 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 20133-63-5 |
|---|---|
| SMILES | CCOP(=O)(N=C=O)OCC |
| InChIKey | BSCBJDQIQBYMBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorisocyanatidic acid, diethyl ester (CAS 20133-63-5), with molecular formula C5H10NO4P and molecular weight 179.03 g/mol. IUPAC: 1-[ethoxy(isocyanato)phosphoryl]oxyethane.
Chemical Property Profile of Phosphorisocyanatidic acid, diethyl ester
Property Insights of Phosphorisocyanatidic acid, diethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorisocyanatidic acid, diethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorisocyanatidic acid, diethyl ester. Following Lipinski's Rule of Five, Phosphorisocyanatidic acid, diethyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphorisocyanatidic acid, diethyl ester?
The CAS number of Phosphorisocyanatidic acid, diethyl ester is 20133-63-5.
What is the molecular formula of Phosphorisocyanatidic acid, diethyl ester?
The molecular formula of Phosphorisocyanatidic acid, diethyl ester is C5H10NO4P.
What is the molecular weight of Phosphorisocyanatidic acid, diethyl ester?
The molecular weight of Phosphorisocyanatidic acid, diethyl ester is 179.03 g/mol.
Where can I buy Phosphorisocyanatidic acid, diethyl ester?
You can request a quote for Phosphorisocyanatidic acid, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorisocyanatidic acid, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorisocyanatidic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.