![Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- structure](/static/products/1063/106345-06-6.webp)
Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-
TL;DR: Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- (CAS 106345-06-6) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(cyanomethyl)pyrrolidin-2-ylidene]propanedinitrile
Also Known As: 2-[1-(cyanomethyl)pyrrolidin-2-ylidene]propanedinitrile, 4-nitrobenzyl-6-phenyl-2-hexynoate, Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-, AH-262/34230021, [1-(cyanomethyl)pyrrolidin-2-ylidene]propanedinitrile
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.90704 |
| Topological Polar Surface Area | 74.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 331.28168 |
Chemical Identifiers
| CAS Number | 106345-06-6 |
|---|---|
| SMILES | C1CC(=C(C#N)C#N)N(C1)CC#N |
Product Overview
Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- (CAS 106345-06-6), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: 2-[1-(cyanomethyl)pyrrolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-
Property Insights of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-
The XLogP value of 0.90704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-. The TPSA of 74.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-. Following Lipinski's Rule of Five, Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- 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 Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-?
The CAS number of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- is 106345-06-6.
What is the molecular formula of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-?
The molecular formula of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- is C9H8N4.
What is the molecular weight of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-?
The molecular weight of Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- is 172.07 g/mol.
Where can I buy Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-?
You can request a quote for Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [1-(cyanomethyl)-2-pyrrolidinylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.