1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
TL;DR: 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one (CAS 84501-67-7) is a chemical compound with molecular formula C5H9BrN4O and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-4-ethyltetrazol-5-one
Also Known As: 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one, EINECS 282-986-4, 1-(2-bromoethyl)-4-ethyltetrazol-5-one, 1-(2-bromoethyl)-4-ethyl-tetrazol-5-one, 1-(2-bromoethyl)-4-ethyl-1H-tetrazol-5(4H)-one
| Molecular Formula | C5H9BrN4O |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | -0.1454 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.99597 |
| Heavy Atoms | 11 |
| Complexity | 278.25494 |
Chemical Identifiers
| CAS Number | 84501-67-7 |
|---|---|
| SMILES | CCN1C(=O)N(N=N1)CCBr |
Product Overview
1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one (CAS 84501-67-7), with molecular formula C5H9BrN4O and molecular weight 220.00 g/mol. IUPAC: 1-(2-bromoethyl)-4-ethyltetrazol-5-one.
Chemical Property Profile of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
Property Insights of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
The XLogP value of -0.1454 indicates that 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.71 Ų, 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one has 0 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-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one?
The CAS number of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one is 84501-67-7.
What is the molecular formula of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one?
The molecular formula of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one is C5H9BrN4O.
What is the molecular weight of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one?
The molecular weight of 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one is 220.00 g/mol.
Where can I buy 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one?
You can request a quote for 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.