3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-
TL;DR: 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- (CAS 5512-92-5) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Also Known As: 2,4-Dicyano-3-hexyl-3-methylglutarimide, Glutarimide, 2,4-dicyano-3-hexyl-3-methyl-, 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-, 1-22-00-00598 (Beilstein Handbook Reference), 4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 5512-92-5 |
|---|---|
| SMILES | CCCCCCC1(C(C(=O)NC(=O)C1C#N)C#N)C |
| InChIKey | JFOVBTOGAPZLSM-UHFFFAOYSA-N |
Product Overview
3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- (CAS 5512-92-5), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: 4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
Chemical Property Profile of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-
Property Insights of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-. Following Lipinski's Rule of Five, 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- has 1 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-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-?
The CAS number of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- is 5512-92-5.
What is the molecular formula of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-?
The molecular formula of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- is C14H19N3O2.
What is the molecular weight of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-?
The molecular weight of 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- is 261.15 g/mol.
Where can I buy 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-?
You can request a quote for 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.