![1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one structure](/static/products/110/1105679-23-9.png)
1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one
TL;DR: 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one (CAS 1105679-23-9) is a chemical compound with molecular formula C9H8N4O and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2H-tetrazol-5-yl)phenyl]ethanone
Also Known As: 1-(3-(1h-Tetrazol-5-yl)phenyl)ethan-1-one, 1-[3-(2H-tetrazol-5-yl)phenyl]ethanone, BB 0238263, 1-[3-(1H-Tetrazol-5-yl)-phenyl]-ethanone, 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one
| Molecular Formula | C9H8N4O |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 1.0693 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06981 |
| Heavy Atoms | 14 |
| Complexity | 449.59534 |
Chemical Identifiers
| CAS Number | 1105679-23-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CC(=C1)C2=NNN=N2 |
Product Overview
1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one (CAS 1105679-23-9), with molecular formula C9H8N4O and molecular weight 188.07 g/mol. IUPAC: 1-[3-(2H-tetrazol-5-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one
Property Insights of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one
The XLogP value of 1.0693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one. Following Lipinski's Rule of Five, 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one 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-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one?
The CAS number of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one is 1105679-23-9.
What is the molecular formula of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one?
The molecular formula of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one is C9H8N4O.
What is the molecular weight of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one?
The molecular weight of 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one is 188.07 g/mol.
Where can I buy 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one?
You can request a quote for 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.