1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine
TL;DR: 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine (CAS 186-04-9) is a chemical compound with molecular formula C3H6ClN5 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)tetrazol-5-amine
Also Known As: 1-(2-chloroethyl)-1h-tetrazol-5-amine, 1-(2-chloroethyl)tetrazol-5-amine, KST-1B1253, 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine, 4-(2-chloroethyl)-1H-tetrazol-5-imine
| Molecular Formula | C3H6ClN5 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.03117 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 186-04-9 |
|---|---|
| SMILES | C(CCl)N1C(=NN=N1)N |
| InChIKey | LZAOOQIITLPTRZ-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine (CAS 186-04-9), with molecular formula C3H6ClN5 and molecular weight 147.03 g/mol. IUPAC: 1-(2-chloroethyl)tetrazol-5-amine.
Chemical Property Profile of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine
Property Insights of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine
The XLogP value of -0.3 indicates that 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine has 1 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 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine?
The CAS number of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine is 186-04-9.
What is the molecular formula of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine?
The molecular formula of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine is C3H6ClN5.
What is the molecular weight of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine?
The molecular weight of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine is 147.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine?
You can request a quote for 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.