(1-amino-2,2-dichloroethylidene)propanedinitrile
TL;DR: (1-amino-2,2-dichloroethylidene)propanedinitrile (CAS 22070-98-0) is a chemical compound with molecular formula C5H3Cl2N3 and molecular weight 174.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-amino-2,2-dichloroethylidene)propanedinitrile
Also Known As: (1-amino-2,2-dichloroethylidene)propanedinitrile, 1,1-Dicyano-2-amino-2-dichlormethylethylen, 2-(1-amino-2,2-dichloroethylidene)propanedinitrile, 2-(1-amino-2,2-dichloro-ethylidene)propanedinitrile, Propanedinitrile, (1-amino-2,2-dichloroethylidene)-
| Molecular Formula | C5H3Cl2N3 |
|---|---|
| Molecular Weight | 174.97 g/mol |
| LogP | 1.05006 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.9704 |
| Heavy Atoms | 10 |
| Complexity | 214.25807 |
Chemical Identifiers
| CAS Number | 22070-98-0 |
|---|---|
| SMILES | C(#N)C(=C(C(Cl)Cl)N)C#N |
Product Overview
(1-amino-2,2-dichloroethylidene)propanedinitrile (CAS 22070-98-0), with molecular formula C5H3Cl2N3 and molecular weight 174.97 g/mol. IUPAC: 2-(1-amino-2,2-dichloroethylidene)propanedinitrile.
Chemical Property Profile of (1-amino-2,2-dichloroethylidene)propanedinitrile
Property Insights of (1-amino-2,2-dichloroethylidene)propanedinitrile
The XLogP value of 1.05006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-amino-2,2-dichloroethylidene)propanedinitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-amino-2,2-dichloroethylidene)propanedinitrile. Following Lipinski's Rule of Five, (1-amino-2,2-dichloroethylidene)propanedinitrile has 1 hydrogen bond donor(s) and 3 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 (1-amino-2,2-dichloroethylidene)propanedinitrile?
The CAS number of (1-amino-2,2-dichloroethylidene)propanedinitrile is 22070-98-0.
What is the molecular formula of (1-amino-2,2-dichloroethylidene)propanedinitrile?
The molecular formula of (1-amino-2,2-dichloroethylidene)propanedinitrile is C5H3Cl2N3.
What is the molecular weight of (1-amino-2,2-dichloroethylidene)propanedinitrile?
The molecular weight of (1-amino-2,2-dichloroethylidene)propanedinitrile is 174.97 g/mol.
Where can I buy (1-amino-2,2-dichloroethylidene)propanedinitrile?
You can request a quote for (1-amino-2,2-dichloroethylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-amino-2,2-dichloroethylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-amino-2,2-dichloroethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.