3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate
TL;DR: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate (CAS 110629-32-8) is a chemical compound with molecular formula C27H34Cl3N5O and molecular weight 549.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-benzhydrylpiperazin-1-yl)ethylimino]-1-hydroxy-2,6-dimethylpyridine-3-carbonitrile;trihydrochloride
Also Known As: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate, 4-[2-(4-benzhydrylpiperazin-1-yl)ethylimino]-1-hydroxy-2,6-dimethylpyridine-3-carbonitrile trihydrochloride
| Molecular Formula | C27H34Cl3N5O |
|---|---|
| Molecular Weight | 549.18 g/mol |
| LogP | 4.78722 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.1829 |
| Heavy Atoms | 36 |
| Complexity | 1148.2712 |
Chemical Identifiers
| CAS Number | 110629-32-8 |
|---|---|
| SMILES | CC1=CC(=NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(N1O)C)C#N.Cl.Cl.Cl |
Product Overview
3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate (CAS 110629-32-8), with molecular formula C27H34Cl3N5O and molecular weight 549.18 g/mol. IUPAC: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylimino]-1-hydroxy-2,6-dimethylpyridine-3-carbonitrile;trihydrochloride.
Chemical Property Profile of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate
Property Insights of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate
The XLogP value of 4.78722 indicates that 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate?
The CAS number of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate is 110629-32-8.
What is the molecular formula of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate?
The molecular formula of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate is C27H34Cl3N5O.
What is the molecular weight of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate?
The molecular weight of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate is 549.18 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate?
You can request a quote for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.