![s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate structure](/static/products/4031/40312-23-0.webp)
s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate
TL;DR: s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate (CAS 40312-23-0) is a chemical compound with molecular formula C10H12ClN2O3PS2 and molecular weight 337.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate, Phosphonodithioic acid, ethyl-, O-methyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one, 6-chloro-3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one, BRN 1016190, RefChem:370680
| Molecular Formula | C10H12ClN2O3PS2 |
|---|---|
| Molecular Weight | 337.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.97156 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 40312-23-0 |
|---|---|
| SMILES | CCP(=S)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
| InChIKey | XCEMBDHDDAJIBJ-UHFFFAOYSA-N |
Product Overview
s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate (CAS 40312-23-0), with molecular formula C10H12ClN2O3PS2 and molecular weight 337.97 g/mol. IUPAC: 6-chloro-3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate
Property Insights of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate
The XLogP value of 3.0 indicates that s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate 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 s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate. Following Lipinski's Rule of Five, s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate has 0 hydrogen bond donor(s) and 6 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 s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate?
The CAS number of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate is 40312-23-0.
What is the molecular formula of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate?
The molecular formula of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate is C10H12ClN2O3PS2.
What is the molecular weight of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate?
The molecular weight of s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate is 337.97 g/mol.
Where can I buy s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate?
You can request a quote for s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.