Cyanthoate
TL;DR: Cyanthoate (CAS 3734-95-0) is a chemical compound with molecular formula C10H19N2O4PS and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide
Also Known As: Cyanthoate, Tartan, Cyanthoate [ISO], ROMERALES, TARTAN (PHOSPHATE)
| Molecular Formula | C10H19N2O4PS |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.08032 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 3734-95-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N |
| InChIKey | TWDJIKFUVRYBJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanthoate (CAS 3734-95-0), with molecular formula C10H19N2O4PS and molecular weight 294.08 g/mol. IUPAC: N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide.
Chemical Property Profile of Cyanthoate
Property Insights of Cyanthoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanthoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanthoate. Following Lipinski's Rule of Five, Cyanthoate has 1 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 Cyanthoate?
The CAS number of Cyanthoate is 3734-95-0.
What is the molecular formula of Cyanthoate?
The molecular formula of Cyanthoate is C10H19N2O4PS.
What is the molecular weight of Cyanthoate?
The molecular weight of Cyanthoate is 294.08 g/mol.
Where can I buy Cyanthoate?
You can request a quote for Cyanthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanthoate?
Yes, KEHONG BIO provides custom synthesis services for Cyanthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.