Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)
TL;DR: Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) (CAS 135017-76-4) is a chemical compound with molecular formula C18H28Cl2N6O and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedinitrile;dihydrochloride
Also Known As: Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1), [(Methylamino)({2-[({5-[(piperidin-1-yl)methyl]furan-2-yl}methyl)amino]ethyl}amino)methylidene]propanedinitrile--hydrogen chloride (1/2), 2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedinitrile dihydrochloride, RefChem:374380
| Molecular Formula | C18H28Cl2N6O |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | 2.26646 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.17017 |
| Heavy Atoms | 27 |
| Complexity | 639.5445 |
Chemical Identifiers
| CAS Number | 135017-76-4 |
|---|---|
| SMILES | CNC(=C(C#N)C#N)NCCNCC1=CC=C(O1)CN2CCCCC2.Cl.Cl |
Product Overview
Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) (CAS 135017-76-4), with molecular formula C18H28Cl2N6O and molecular weight 414.17 g/mol. IUPAC: 2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedinitrile;dihydrochloride.
Chemical Property Profile of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)
Property Insights of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)
The XLogP value of 2.26646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1). The TPSA of 100.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1). Following Lipinski's Rule of Five, Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) has 3 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, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)?
The CAS number of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) is 135017-76-4.
What is the molecular formula of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)?
The molecular formula of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) is C18H28Cl2N6O.
What is the molecular weight of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)?
The molecular weight of Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) is 414.17 g/mol.
Where can I buy Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)?
You can request a quote for Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, ((methylamino)((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-, hydrochloride, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.