Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
TL;DR: Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester (CAS 59631-25-3) is a chemical compound with molecular formula C17H23N2O5PS and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one
Also Known As: Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester, 2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one, O-(1-Benzyl-5-methoxy-6-oxo-1,6-dihydropyridazin-4-yl) O-ethyl O-propan-2-yl phosphorothioate, PHOSPHOROTHIOIC ACID O-(1,6-DIHYDRO-5-METHOXY-6-OXO-1-BENZYL-4-PYRIDAZINYL) O-ETHYL O-(ISOPROPYL) ESTER, O-(1-Benzyl-5-methoxy-6-oxo-1,6-dihydropyridazin-4-yl) O-ethyl O-(propan-2-yl) phosphorothioate
| Molecular Formula | C17H23N2O5PS |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 3.365 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.10654 |
| Heavy Atoms | 26 |
| Complexity | 825.6481 |
Chemical Identifiers
| CAS Number | 59631-25-3 |
|---|---|
| SMILES | CCOP(=S)(OC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)OC)OC(C)C |
Product Overview
Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester (CAS 59631-25-3), with molecular formula C17H23N2O5PS and molecular weight 398.11 g/mol. IUPAC: 2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one.
Chemical Property Profile of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
Property Insights of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
The XLogP value of 3.365 indicates that Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) 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 Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The CAS number of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is 59631-25-3.
What is the molecular formula of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The molecular formula of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is C17H23N2O5PS.
What is the molecular weight of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The molecular weight of Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is 398.11 g/mol.
Where can I buy Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
You can request a quote for Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) 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-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.