![[1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate structure](/static/products/2293/22936-20-5.webp)
[1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate
TL;DR: [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate (CAS 22936-20-5) is a chemical compound with molecular formula C17H27N2O5PS and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate
Also Known As: Acetophenone, 4'-hydroxy-, O-(butylcarbamoyl)oxime, O-ester with O,O-diethyl phosphorothioate, Phosphorothioic acid, O,O-diethyl O-(4-(1-((((butylamino)carbonyl)oxy)imino)ethyl)phenyl) ester, Phosphorothioic acid,O-[4-[1-[[[(butylamino)carbonyl]oxy]imino]ethyl]phenyl] O,O-diethyl ester
| Molecular Formula | C17H27N2O5PS |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 402.13782 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 22936-20-5 |
|---|---|
| SMILES | CCCCNC(=O)ON=C(C)C1=CC=C(C=C1)OP(=S)(OCC)OCC |
| InChIKey | AOXUZMATPPXYBW-UHFFFAOYSA-N |
Product Overview
[1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate (CAS 22936-20-5), with molecular formula C17H27N2O5PS and molecular weight 402.14 g/mol. IUPAC: [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate.
Chemical Property Profile of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate
Property Insights of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate
The XLogP value of 4.9 indicates that [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate. Following Lipinski's Rule of Five, [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate 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 [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate?
The CAS number of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate is 22936-20-5.
What is the molecular formula of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate?
The molecular formula of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate is C17H27N2O5PS.
What is the molecular weight of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate?
The molecular weight of [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate is 402.14 g/mol.
Where can I buy [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate?
You can request a quote for [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.