1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one
TL;DR: 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one (CAS 354551-80-7) is a chemical compound with molecular formula C9H8Br2N4O and molecular weight 345.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-dibromoethyl)-4-phenyltetrazol-5-one
Also Known As: 1-(1,2-dibromoethyl)-4-phenyltetrazol-5-one, AL-291/14936006, 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one
| Molecular Formula | C9H8Br2N4O |
|---|---|
| Molecular Weight | 345.91 g/mol |
| LogP | 1.7174 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.9065 |
| Heavy Atoms | 16 |
| Complexity | 521.8053 |
Chemical Identifiers
| CAS Number | 354551-80-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N(N=N2)C(CBr)Br |
Product Overview
1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one (CAS 354551-80-7), with molecular formula C9H8Br2N4O and molecular weight 345.91 g/mol. IUPAC: 1-(1,2-dibromoethyl)-4-phenyltetrazol-5-one.
Chemical Property Profile of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one
Property Insights of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one
The XLogP value of 1.7174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one. With a topological polar surface area (TPSA) of 52.71 Ų, 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-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-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one?
The CAS number of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one is 354551-80-7.
What is the molecular formula of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one?
The molecular formula of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one is C9H8Br2N4O.
What is the molecular weight of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one?
The molecular weight of 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one is 345.91 g/mol.
Where can I buy 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one?
You can request a quote for 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-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-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2-dibromoethyl)-4-phenyl-1,4-dihydro-5H-tetraazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.