(E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime
TL;DR: (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime (CAS 328009-54-7) is a chemical compound with molecular formula C11H9FN6O4 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] 4-fluorobenzoate
Also Known As: (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime, [(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] 4-fluorobenzoate, (4-fluorophenyl)({[(2E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}oxy)methanone
| Molecular Formula | C11H9FN6O4 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 0.9533 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.06693 |
| Heavy Atoms | 22 |
| Complexity | 726.4384 |
Chemical Identifiers
| CAS Number | 328009-54-7 |
|---|---|
| SMILES | C/C(=N\OC(=O)C1=CC=C(C=C1)F)/CN2N=C(N=N2)[N+](=O)[O-] |
Product Overview
(E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime (CAS 328009-54-7), with molecular formula C11H9FN6O4 and molecular weight 308.07 g/mol. IUPAC: [(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] 4-fluorobenzoate.
Chemical Property Profile of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime
Property Insights of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime
The XLogP value of 0.9533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime. Following Lipinski's Rule of Five, (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime has 0 hydrogen bond donor(s) and 8 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 (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime?
The CAS number of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime is 328009-54-7.
What is the molecular formula of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime?
The molecular formula of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime is C11H9FN6O4.
What is the molecular weight of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime?
The molecular weight of (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime is 308.07 g/mol.
Where can I buy (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime?
You can request a quote for (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-one O-(4-fluorobenzoyl) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.