1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
TL;DR: 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate (CAS 669760-50-3) is a chemical compound with molecular formula C16H13N7O3S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltetrazol-5-yl) (1E)-N-(4-nitroanilino)-2-oxopropanimidothioate
Also Known As: (1-phenyltetrazol-5-yl) (1E)-N-(4-nitroanilino)-2-oxopropanimidothioate, (E)-1-phenyl-1H-tetrazol-5-yl N'-(4-nitrophenyl)-2-oxopropanehydrazonothioate, 1-[N-[(4-nitrophenyl)amino]-C-(1-phenyltetrazol-5-yl)sulfanyl-carbonimidoyl]ethanone, 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate, propanehydrazonothioic acid, N-(4-nitrophenyl)-2-oxo-, 1-phenyl-1H-tetrazol-5-yl ester, (1E)-
| Molecular Formula | C16H13N7O3S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.6772 |
| Topological Polar Surface Area | 128.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08005 |
| Heavy Atoms | 27 |
| Complexity | 986.7632 |
Chemical Identifiers
| CAS Number | 669760-50-3 |
|---|---|
| SMILES | CC(=O)/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/SC2=NN=NN2C3=CC=CC=C3 |
Product Overview
1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate (CAS 669760-50-3), with molecular formula C16H13N7O3S and molecular weight 383.08 g/mol. IUPAC: (1-phenyltetrazol-5-yl) (1E)-N-(4-nitroanilino)-2-oxopropanimidothioate.
Chemical Property Profile of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
Property Insights of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
The XLogP value of 2.6772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate. The TPSA of 128.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate. Following Lipinski's Rule of Five, 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate has 1 hydrogen bond donor(s) and 9 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-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate?
The CAS number of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate is 669760-50-3.
What is the molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate?
The molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate is C16H13N7O3S.
What is the molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate?
The molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate is 383.08 g/mol.
Where can I buy 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate?
You can request a quote for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.