Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester (CAS 25205-10-1) is a chemical compound with molecular formula C13H20NO4PS and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[ethoxy(methylamino)phosphinothioyl]oxybenzoate
Also Known As: Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester, Propan-2-yl 2-(ethoxy-methylamino-phosphinothioyl)oxybenzoate, propan-2-yl 2-[ethoxy(methylamino)phosphinothioyl]oxybenzoate, propan-2-yl 2-{[ethoxy(methylamino)phosphorothioyl]oxy}benzoate
| Molecular Formula | C13H20NO4PS |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.08505 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 25205-10-1 |
|---|---|
| SMILES | CCOP(=S)(NC)OC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | WRCHISPVZHOMHW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester (CAS 25205-10-1), with molecular formula C13H20NO4PS and molecular weight 317.09 g/mol. IUPAC: propan-2-yl 2-[ethoxy(methylamino)phosphinothioyl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester
The XLogP value of 3.3 indicates that Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester 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 Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester 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 Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester is 25205-10-1.
What is the molecular formula of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester is C13H20NO4PS.
What is the molecular weight of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester is 317.09 g/mol.
Where can I buy Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((ethoxy(methylamino)phosphinothioyl)oxy)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.