![Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate structure](/static/products/107/1077-04-9.png)
Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate
TL;DR: Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate (CAS 1077-04-9) is a chemical compound with molecular formula C24H25N2O4PS and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(4-ethoxycarbonylanilino)-phenylphosphinothioyl]amino]benzoate
Also Known As: diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate, Diethyl 4,4'-[(phenylphosphorothioyl)bis(azanediyl)]dibenzoate, ethyl 4-[[(4-ethoxycarbonylanilino)-phenylphosphinothioyl]amino]benzoate, Benzoic acid,4,4'-[(phenylphosphinothioylidene)diimino]bis-, diethyl ester (9CI)
| Molecular Formula | C24H25N2O4PS |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 468.12726 |
| Heavy Atoms | 32 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 1077-04-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NP(=S)(C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)OCC |
| InChIKey | GAEJUXSFDAEECA-UHFFFAOYSA-N |
Product Overview
Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate (CAS 1077-04-9), with molecular formula C24H25N2O4PS and molecular weight 468.13 g/mol. IUPAC: ethyl 4-[[(4-ethoxycarbonylanilino)-phenylphosphinothioyl]amino]benzoate.
Chemical Property Profile of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate
Property Insights of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate
The XLogP value of 6.8 indicates that Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate. Following Lipinski's Rule of Five, Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate?
The CAS number of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate is 1077-04-9.
What is the molecular formula of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate?
The molecular formula of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate is C24H25N2O4PS.
What is the molecular weight of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate?
The molecular weight of Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate is 468.13 g/mol.
Where can I buy Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate?
You can request a quote for Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,4'-[(phenylphosphorothioyl)diimino]dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.