Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester
TL;DR: Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester (CAS 53131-34-3) is a chemical compound with molecular formula C12H16ClN2O4PS2 and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester, S-((6-Chloro-2-oxooxazolo(4,5-b)pyridin-2(3H)-yl)methyl) O-ethyl S-propyl phosphorodithioate, Phosphorodithioic acid, O-ethyl S-propyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one, 6-chloro-3-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one, S-[(6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O-ethyl S-propyl phosphorodithioate
| Molecular Formula | C12H16ClN2O4PS2 |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 4.6214 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.99777 |
| Heavy Atoms | 22 |
| Complexity | 748.29175 |
Chemical Identifiers
| CAS Number | 53131-34-3 |
|---|---|
| SMILES | CCCSP(=O)(OCC)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
Product Overview
Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester (CAS 53131-34-3), with molecular formula C12H16ClN2O4PS2 and molecular weight 382.00 g/mol. IUPAC: 6-chloro-3-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester
Property Insights of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester
The XLogP value of 4.6214 indicates that Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester. Following Lipinski's Rule of Five, Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester has 0 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 Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester?
The CAS number of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester is 53131-34-3.
What is the molecular formula of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester?
The molecular formula of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester is C12H16ClN2O4PS2.
What is the molecular weight of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester?
The molecular weight of Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester is 382.00 g/mol.
Where can I buy Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester?
You can request a quote for Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester?
Yes, KEHONG BIO provides custom synthesis services for Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.