Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester
TL;DR: Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester (CAS 21988-59-0) is a chemical compound with molecular formula C20H29NO6P2S and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diphenoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Also Known As: N-ethylbenzenecarboximidoyl cyanide, 3-Trifluormethyl-4-nitro-benzolsulfonamid, s-{2-[(diphenoxyphosphoryl)amino]ethyl} o,o-dipropyl phosphorothioate, Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester, Phosphoramidic acid, N-(O',O'-dipropylphosphorothio)ethyl-, O,O-diphenyl ester
| Molecular Formula | C20H29NO6P2S |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 473.11908 |
| Heavy Atoms | 30 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 21988-59-0 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)SCCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
| InChIKey | QVSVMRXWPUQWLC-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester (CAS 21988-59-0), with molecular formula C20H29NO6P2S and molecular weight 473.12 g/mol. IUPAC: N-diphenoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine.
Chemical Property Profile of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester
Property Insights of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester
The XLogP value of 4.3 indicates that Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester has 1 hydrogen bond donor(s) and 8 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 Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester?
The CAS number of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester is 21988-59-0.
What is the molecular formula of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester?
The molecular formula of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester is C20H29NO6P2S.
What is the molecular weight of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester?
The molecular weight of Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester is 473.12 g/mol.
Where can I buy Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester?
You can request a quote for Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.