1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone
TL;DR: 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone (CAS 342596-47-8) is a chemical compound with molecular formula C15H11N5O3 and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone
Also Known As: BIM-0009848.P001, 1-(3-nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone, AF-399/12857104, 1-{3-nitrophenyl}-2-(2-phenyl-2H-tetraazol-5-yl)ethanone
| Molecular Formula | C15H11N5O3 |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 1.9959 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.08618 |
| Heavy Atoms | 23 |
| Complexity | 860.3136 |
Chemical Identifiers
| CAS Number | 342596-47-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C(N=N2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone (CAS 342596-47-8), with molecular formula C15H11N5O3 and molecular weight 309.09 g/mol. IUPAC: 1-(3-nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone.
Chemical Property Profile of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone
Property Insights of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone
The XLogP value of 1.9959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone?
The CAS number of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone is 342596-47-8.
What is the molecular formula of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone?
The molecular formula of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone is C15H11N5O3.
What is the molecular weight of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone?
The molecular weight of 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone is 309.09 g/mol.
Where can I buy 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone?
You can request a quote for 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-2-(2-phenyltetrazol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.