1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile
TL;DR: 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile (CAS 98195-14-3) is a chemical compound with molecular formula C26H39N3 and molecular weight 393.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile
Also Known As: 1-benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile, 1-benzyl-2-methyl-6-undecyl-piperidine-2,6-dicarbonitrile, 2,6-Piperidinedicarbonitrile, 1-(phenylmethyl)-2-methyl-6-undecyl-
| Molecular Formula | C26H39N3 |
|---|---|
| Molecular Weight | 393.31 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 393.3144 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 98195-14-3 |
|---|---|
| SMILES | CCCCCCCCCCCC1(CCCC(N1CC2=CC=CC=C2)(C)C#N)C#N |
| InChIKey | QWTROJRHBCIQQK-UHFFFAOYSA-N |
Product Overview
1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile (CAS 98195-14-3), with molecular formula C26H39N3 and molecular weight 393.31 g/mol. IUPAC: 1-benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile.
Chemical Property Profile of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile
Property Insights of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile
The XLogP value of 7.8 indicates that 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile?
The CAS number of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile is 98195-14-3.
What is the molecular formula of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile?
The molecular formula of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile is C26H39N3.
What is the molecular weight of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile?
The molecular weight of 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile is 393.31 g/mol.
Where can I buy 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile?
You can request a quote for 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-methyl-6-undecylpiperidine-2,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.