Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride
TL;DR: Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride (CAS 135017-86-6) is a chemical compound with molecular formula C20H30Cl2N6O and molecular weight 440.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile;dihydrochloride
Also Known As: Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride, (1-{2-[({5-[(Azepan-1-yl)methyl]furan-2-yl}methyl)amino]ethyl}imidazolidin-2-ylidene)propanedinitrile--hydrogen chloride (1/2), 2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile dihydrochloride, RefChem:374383
| Molecular Formula | C20H30Cl2N6O |
|---|---|
| Molecular Weight | 440.19 g/mol |
| LogP | 2.75276 |
| Topological Polar Surface Area | 91.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.18582 |
| Heavy Atoms | 29 |
| Complexity | 712.06525 |
Chemical Identifiers
| CAS Number | 135017-86-6 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N.Cl.Cl |
Product Overview
Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride (CAS 135017-86-6), with molecular formula C20H30Cl2N6O and molecular weight 440.19 g/mol. IUPAC: 2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile;dihydrochloride.
Chemical Property Profile of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride
Property Insights of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride
The XLogP value of 2.75276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride. The TPSA of 91.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride. Following Lipinski's Rule of Five, Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride has 2 hydrogen bond donor(s) and 7 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 Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride?
The CAS number of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride is 135017-86-6.
What is the molecular formula of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride?
The molecular formula of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride is C20H30Cl2N6O.
What is the molecular weight of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride?
The molecular weight of Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride is 440.19 g/mol.
Where can I buy Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride?
You can request a quote for Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (1-(2-(((5-((hexahydro-1H-azepin-1-yl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.