4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate
TL;DR: 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate (CAS 498530-93-1) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-1,3,5-trimethylpiperidin-4-yl) acetate
Also Known As: 4-cyano-1,3,5-trimethyl-4-piperidinyl acetate, (4-cyano-1,3,5-trimethylpiperidin-4-yl) acetate, (4-cyano-1,3,5-trimethyl-4-piperidyl) Acetate
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 1.02948 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 283.45328 |
Chemical Identifiers
| CAS Number | 498530-93-1 |
|---|---|
| SMILES | CC1CN(CC(C1(C#N)OC(=O)C)C)C |
Product Overview
4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate (CAS 498530-93-1), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: (4-cyano-1,3,5-trimethylpiperidin-4-yl) acetate.
Chemical Property Profile of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate
Property Insights of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate
The XLogP value of 1.02948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate. With a topological polar surface area (TPSA) of 53.33 Ų, 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate 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 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate?
The CAS number of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate is 498530-93-1.
What is the molecular formula of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate?
The molecular formula of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate is C11H18N2O2.
What is the molecular weight of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate?
The molecular weight of 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate is 210.14 g/mol.
Where can I buy 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate?
You can request a quote for 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-1,3,5-trimethyl-4-piperidinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.