![{[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile structure](/static/products/890/890091-63-1.png)
{[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile
TL;DR: {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile (CAS 890091-63-1) is a chemical compound with molecular formula C6H2ClN5 and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-amino-2-chloro-1-cyanoethenyl]iminopropanedinitrile
Also Known As: CYANOMETHANECARBONIMIDOYL CYANIDE, ZERO/004567, {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile, 2-[(E)-2-amino-2-chloro-1-cyanoethenyl]iminopropanedinitrile, Propanedinitrile, 2-[(2-amino-2-chloro-1-cyanoethenyl)imino]-
| Molecular Formula | C6H2ClN5 |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 0.36474 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.99988 |
| Heavy Atoms | 12 |
| Complexity | 338.87036 |
Chemical Identifiers
| CAS Number | 890091-63-1 |
|---|---|
| SMILES | C(#N)C(=N/C(=C(\N)/Cl)/C#N)C#N |
Product Overview
{[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile (CAS 890091-63-1), with molecular formula C6H2ClN5 and molecular weight 179.00 g/mol. IUPAC: 2-[(E)-2-amino-2-chloro-1-cyanoethenyl]iminopropanedinitrile.
Chemical Property Profile of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile
Property Insights of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile
The XLogP value of 0.36474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile. Following Lipinski's Rule of Five, {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile has 1 hydrogen bond donor(s) and 5 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 {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile?
The CAS number of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile is 890091-63-1.
What is the molecular formula of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile?
The molecular formula of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile is C6H2ClN5.
What is the molecular weight of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile?
The molecular weight of {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile is 179.00 g/mol.
Where can I buy {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile?
You can request a quote for {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[(E)-2-amino-2-chloro-1-cyanoethenyl]imino}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.