![4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile structure](/static/products/570/57052-97-8.png)
4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile
TL;DR: 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile (CAS 57052-97-8) is a chemical compound with molecular formula C8H10Cl2N6 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile
Also Known As: (5Z)-5-[bis(2-chloroethyl)aminohydrazinylidene]imidazole-4-c
| Molecular Formula | C8H10Cl2N6 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.0344 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 57052-97-8 |
|---|---|
| SMILES | C1=NC(=C(N1)C#N)N=NN(CCCl)CCCl |
| InChIKey | BJLFYQDZCUWJAO-UHFFFAOYSA-N |
Product Overview
4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile (CAS 57052-97-8), with molecular formula C8H10Cl2N6 and molecular weight 260.03 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile.
Chemical Property Profile of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile
Property Insights of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile 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 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile?
The CAS number of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile is 57052-97-8.
What is the molecular formula of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile?
The molecular formula of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile is C8H10Cl2N6.
What is the molecular weight of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile?
The molecular weight of 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile is 260.03 g/mol.
Where can I buy 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile?
You can request a quote for 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.