RefChem:296049
TL;DR: RefChem:296049 (CAS 23819-94-5) is a chemical compound with molecular formula C14H19N2O5PS and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-diethoxyphosphinothioyloxy-6-methylpyridine-4-carboxylate
Also Known As: 4-Pyridinecarboxylic acid, 3-cyano-2-[(diethoxyphosphinothioyl)oxy]-6-methyl-, ethyl ester, ethyl 3-cyano-2-[(diethoxyphosphorothioyl)oxy]-6-methylisonicotinate, Ethyl 3-cyano-2-((diethoxyphosphorothioyl)oxy)-6-methylisonicotinate, ethyl 3-cyano-2-diethoxyphosphinothioyloxy-6-methylpyridine-4-carboxylate, ETHYL3-CYANO-2-[(DIETHOXYPHOSPHOROTHIOYL)OXY]-6-METHYLISONICOTINATE
| Molecular Formula | C14H19N2O5PS |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 358.07523 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 23819-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=C1)C)OP(=S)(OCC)OCC)C#N |
| InChIKey | QREQPDSQERABEV-UHFFFAOYSA-N |
Product Overview
RefChem:296049 (CAS 23819-94-5), with molecular formula C14H19N2O5PS and molecular weight 358.08 g/mol. IUPAC: ethyl 3-cyano-2-diethoxyphosphinothioyloxy-6-methylpyridine-4-carboxylate.
Chemical Property Profile of RefChem:296049
Property Insights of RefChem:296049
The XLogP value of 3.4 indicates that RefChem:296049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296049. Following Lipinski's Rule of Five, RefChem:296049 has 0 hydrogen bond donor(s) and 8 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 RefChem:296049?
The CAS number of RefChem:296049 is 23819-94-5.
What is the molecular formula of RefChem:296049?
The molecular formula of RefChem:296049 is C14H19N2O5PS.
What is the molecular weight of RefChem:296049?
The molecular weight of RefChem:296049 is 358.08 g/mol.
Where can I buy RefChem:296049?
You can request a quote for RefChem:296049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296049?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.