RefChem:371096
TL;DR: RefChem:371096 (CAS 6096-16-8) is a chemical compound with molecular formula C12H17N2O5PS2 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide
Also Known As: 4-12-00-01654 (Beilstein Handbook Reference), Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercapto-4'-nitroacetanilide, 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide, O,O-Diethyl S-[2-(4-nitroanilino)-2-oxoethyl] phosphorodithioate, BRN 2951751
| Molecular Formula | C12H17N2O5PS2 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.03165 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 6096-16-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | SNWBUAHQUWURFW-UHFFFAOYSA-N |
Product Overview
RefChem:371096 (CAS 6096-16-8), with molecular formula C12H17N2O5PS2 and molecular weight 364.03 g/mol. IUPAC: 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of RefChem:371096
Property Insights of RefChem:371096
The XLogP value of 3.1 indicates that RefChem:371096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:371096 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371096 has 1 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 RefChem:371096?
The CAS number of RefChem:371096 is 6096-16-8.
What is the molecular formula of RefChem:371096?
The molecular formula of RefChem:371096 is C12H17N2O5PS2.
What is the molecular weight of RefChem:371096?
The molecular weight of RefChem:371096 is 364.03 g/mol.
Where can I buy RefChem:371096?
You can request a quote for RefChem:371096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.