Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester
TL;DR: Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester (CAS 54253-87-1) is a chemical compound with molecular formula C10H13N2O3PS2 and molecular weight 304.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester, Phosphonodithioic acid, ethyl-, O-methyl ester, S-ester with 3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one, 3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one, O-Methyl S-[(2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] ethylphosphonodithioate, BRN 1082436
| Molecular Formula | C10H13N2O3PS2 |
|---|---|
| Molecular Weight | 304.01 g/mol |
| LogP | 2.656 |
| Topological Polar Surface Area | 57.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.01053 |
| Heavy Atoms | 18 |
| Complexity | 643.85535 |
Chemical Identifiers
| CAS Number | 54253-87-1 |
|---|---|
| SMILES | CCP(=S)(OC)SCN1C2=C(C=CC=N2)OC1=O |
Product Overview
Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester (CAS 54253-87-1), with molecular formula C10H13N2O3PS2 and molecular weight 304.01 g/mol. IUPAC: 3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester
Property Insights of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester
The XLogP value of 2.656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester. With a topological polar surface area (TPSA) of 57.26 Ų, Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester 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 Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester?
The CAS number of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester is 54253-87-1.
What is the molecular formula of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester?
The molecular formula of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester is C10H13N2O3PS2.
What is the molecular weight of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester?
The molecular weight of Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester is 304.01 g/mol.
Where can I buy Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester?
You can request a quote for Aethandithiophosphonsaeure O-methyl-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 Aethandithiophosphonsaeure O-methyl-S-((oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Aethandithiophosphonsaeure O-methyl-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.