3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile
TL;DR: 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile (CAS 5336-36-7) is a chemical compound with molecular formula C8H14NO3P and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propanenitrile
Also Known As: 3-(5,5-dimethyl-2-oxo-1,3,2, 3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)propanenitrile, Phosphonic acid,(3-amino-2-methylpropyl)-,diethyl ester, 3-(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)propanenitrile, 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile
| Molecular Formula | C8H14NO3P |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.07114 |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 5336-36-7 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)CCC#N)C |
| InChIKey | YYHHAVORXPWGKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile (CAS 5336-36-7), with molecular formula C8H14NO3P and molecular weight 203.07 g/mol. IUPAC: 3-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propanenitrile.
Chemical Property Profile of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile
Property Insights of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile. With a topological polar surface area (TPSA) of 59.3 Ų, 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile has 0 hydrogen bond donor(s) and 4 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 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile?
The CAS number of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile is 5336-36-7.
What is the molecular formula of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile?
The molecular formula of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile is C8H14NO3P.
What is the molecular weight of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile?
The molecular weight of 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile is 203.07 g/mol.
Where can I buy 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile?
You can request a quote for 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.