![2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile structure](/static/products/1346/134650-07-0.webp)
2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile
TL;DR: 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile (CAS 134650-07-0) is a chemical compound with molecular formula C11H22NO3PS and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile
Also Known As: 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile, Phosphorothioic acid, O-(1-cyano-2-methylpropyl) O-ethyl S-(1-methylpropyl) ester, 2-(butan-2-ylsulfanyl-ethoxy-phosphoryl)oxy-3-methyl-butanenitrile, S-(Butan-2-yl) O-(1-cyano-2-methylpropyl) O-ethyl phosphorothioate, S-butan-2-yl O-(1-cyano-2-methylpropyl) O-ethyl phosphorothioate
| Molecular Formula | C11H22NO3PS |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.1058 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 134650-07-0 |
|---|---|
| SMILES | CCC(C)SP(=O)(OCC)OC(C#N)C(C)C |
| InChIKey | IHGZJCKWNKQDSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile (CAS 134650-07-0), with molecular formula C11H22NO3PS and molecular weight 279.11 g/mol. IUPAC: 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile.
Chemical Property Profile of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile
Property Insights of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile. Following Lipinski's Rule of Five, 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile has 0 hydrogen bond donor(s) and 5 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 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile?
The CAS number of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile is 134650-07-0.
What is the molecular formula of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile?
The molecular formula of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile is C11H22NO3PS.
What is the molecular weight of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile?
The molecular weight of 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile is 279.11 g/mol.
Where can I buy 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile?
You can request a quote for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-3-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.