![1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one structure](/static/products/917/917219-50-2.png)
1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one
TL;DR: 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one (CAS 917219-50-2) is a chemical compound with molecular formula C13H15BrN4O and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethylbutan-2-one
Also Known As: AP-853/43405549, 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one, 1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethylbutan-2-one, 1-[5-(4-bromophenyl)-1H-tetraazol-1-yl]-3,3-dimethyl-2-butanone
| Molecular Formula | C13H15BrN4O |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.7178 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0429 |
| Heavy Atoms | 19 |
| Complexity | 583.43585 |
Chemical Identifiers
| CAS Number | 917219-50-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C(=NN=N1)C2=CC=C(C=C2)Br |
Product Overview
1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one (CAS 917219-50-2), with molecular formula C13H15BrN4O and molecular weight 322.04 g/mol. IUPAC: 1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one
Property Insights of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one
The XLogP value of 2.7178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one. Following Lipinski's Rule of Five, 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one has 0 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-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one is 917219-50-2.
What is the molecular formula of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one is C13H15BrN4O.
What is the molecular weight of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one is 322.04 g/mol.
Where can I buy 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-bromophenyl)-1H-tetrazol-1-yl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.