Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester
TL;DR: Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester (CAS 85519-46-6) is a chemical compound with molecular formula C8H18NO2PS2 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-methylformamide
Also Known As: Cyclopropene-3-carbonitrile, 1-methyl-, Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl) ester, Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester, N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-methylformamide, S-(Butan-2-yl) O-ethyl N-formyl-N-methylphosphoramidodithioate
| Molecular Formula | C8H18NO2PS2 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.05165 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 85519-46-6 |
|---|---|
| SMILES | CCC(C)SP(=S)(N(C)C=O)OCC |
| InChIKey | VYKAKQBBZPGADZ-UHFFFAOYSA-N |
Product Overview
Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester (CAS 85519-46-6), with molecular formula C8H18NO2PS2 and molecular weight 255.05 g/mol. IUPAC: N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-methylformamide.
Chemical Property Profile of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester
Property Insights of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester
The XLogP value of 3.0 indicates that Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester. Following Lipinski's Rule of Five, Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester has 0 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 Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester?
The CAS number of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester is 85519-46-6.
What is the molecular formula of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester?
The molecular formula of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester is C8H18NO2PS2.
What is the molecular weight of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester?
The molecular weight of Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester is 255.05 g/mol.
Where can I buy Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester?
You can request a quote for Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidodithioic acid, formylmethyl-, O-ethyl S-(1-methylpropyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.