5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide
TL;DR: 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide (CAS 28177-14-2) is a chemical compound with molecular formula C6H9ClN6O and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-chloroethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
Also Known As: MCTIC, 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide, Imidazole-4-carboxamide, 5-(3-(2-chloroethyl)-1-triazenyl)-, 1H-Imidazole-4-carboxamide, 5-(3-(2-chloroethyl)-1-triazenyl)-, 5[3-(2-chloroethyl)triazen-1-yl]imidazole-4-carboxamide
| Molecular Formula | C6H9ClN6O |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.05264 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 28177-14-2 |
|---|---|
| SMILES | C1=NC(=C(N1)C(=O)N)NN=NCCCl |
| InChIKey | NTSGCNCEAGGYGC-UHFFFAOYSA-N |
Product Overview
5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide (CAS 28177-14-2), with molecular formula C6H9ClN6O and molecular weight 216.05 g/mol. IUPAC: 4-[2-(2-chloroethylimino)hydrazinyl]-1H-imidazole-5-carboxamide.
Chemical Property Profile of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide
Property Insights of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide. Following Lipinski's Rule of Five, 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide has 3 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 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide?
The CAS number of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide is 28177-14-2.
What is the molecular formula of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide?
The molecular formula of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide is C6H9ClN6O.
What is the molecular weight of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide?
The molecular weight of 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide is 216.05 g/mol.
Where can I buy 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide?
You can request a quote for 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(2-Chloroethyl)triazen-1-yl)imidazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.