Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester
TL;DR: Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester (CAS 40305-80-4) is a chemical compound with molecular formula C9H10ClN2O4PS2 and molecular weight 339.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(dimethoxyphosphinothioylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester, N5-Benzyloxycarbonyl-L-Ornithine methyl ester hydrochloride, s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o,o-dimethyl phosphorodithioate, 3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one, S-((6-Chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorodithioate
| Molecular Formula | C9H10ClN2O4PS2 |
|---|---|
| Molecular Weight | 339.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.9508 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 40305-80-4 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
| InChIKey | GOCDAKMSVFMVRJ-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester (CAS 40305-80-4), with molecular formula C9H10ClN2O4PS2 and molecular weight 339.95 g/mol. IUPAC: 6-chloro-3-(dimethoxyphosphinothioylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester
Property Insights of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl 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 Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester?
The CAS number of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester is 40305-80-4.
What is the molecular formula of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester?
The molecular formula of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester is C9H10ClN2O4PS2.
What is the molecular weight of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester?
The molecular weight of Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester is 339.95 g/mol.
Where can I buy Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester?
You can request a quote for Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.