Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate
TL;DR: Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate (CAS 96183-03-8) is a chemical compound with molecular formula C14H22NO4PS and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[ethoxy(ethylamino)phosphinothioyl]oxybenzoate
Also Known As: Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate, Benzoic acid, 2-(ethoxy(ethylamino)phosphinothioyl)oxy)-, 1-methylethyl ester, Propan-2-yl 2-(ethoxy-ethylamino-phosphinothioyl)oxybenzoate, propan-2-yl 2-[ethoxy(ethylamino)phosphinothioyl]oxybenzoate, Propan-2-yl 2-{[ethoxy(ethylamino)phosphorothioyl]oxy}benzoate
| Molecular Formula | C14H22NO4PS |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.1007 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 96183-03-8 |
|---|---|
| SMILES | CCNP(=S)(OCC)OC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | SOSPDSLLSNRTNP-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate (CAS 96183-03-8), with molecular formula C14H22NO4PS and molecular weight 331.10 g/mol. IUPAC: propan-2-yl 2-[ethoxy(ethylamino)phosphinothioyl]oxybenzoate.
Chemical Property Profile of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate
Property Insights of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate
The XLogP value of 3.7 indicates that Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate. Following Lipinski's Rule of Five, Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate has 1 hydrogen bond donor(s) and 6 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 Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate?
The CAS number of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate is 96183-03-8.
What is the molecular formula of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate?
The molecular formula of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate is C14H22NO4PS.
What is the molecular weight of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate?
The molecular weight of Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate is 331.10 g/mol.
Where can I buy Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate?
You can request a quote for Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.