2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-
TL;DR: 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- (CAS 95234-66-5) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanenitrile
Also Known As: 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-, 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanenitrile, 2,2-dimethyl-5,5-bis(b-cyanoethyl)-4-oxotetrahydropyran, 3,3'-(6,6-Dimethyl-4-oxooxane-3,3-diyl)dipropanenitrile, 2H-Pyran-3,3(4H)-dipropanenitrile,dihydro-6,6-dimethyl-4-oxo
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.34836 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 355.86115 |
Chemical Identifiers
| CAS Number | 95234-66-5 |
|---|---|
| SMILES | CC1(CC(=O)C(CO1)(CCC#N)CCC#N)C |
Product Overview
2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- (CAS 95234-66-5), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanenitrile.
Chemical Property Profile of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-
Property Insights of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-
The XLogP value of 2.34836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-. Following Lipinski's Rule of Five, 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- 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 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-?
The CAS number of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- is 95234-66-5.
What is the molecular formula of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-?
The molecular formula of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- is C13H18N2O2.
What is the molecular weight of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-?
The molecular weight of 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- is 234.14 g/mol.
Where can I buy 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-?
You can request a quote for 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-3,3(4H)-dipropanenitrile, dihydro-6,6-dimethyl-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.