p-Nitrobenzaldehyde semicarbazone
TL;DR: p-Nitrobenzaldehyde semicarbazone (CAS 5315-87-7) is a chemical compound with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-nitrophenyl)methylideneamino]urea
Also Known As: p-nitrobenzaldehyde semicarbazone, [(4-nitrophenyl)methyleneamino]urea, [(4-nitrophenyl)methylideneamino]urea, (E)-2-(4-nitrobenzylidene)hydrazinecarboxamide, 2-(4-NITROBENZYLIDENE)HYDRAZINECARBOXAMIDE
| Molecular Formula | C8H8N4O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.05965 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 5315-87-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=O)N)[N+](=O)[O-] |
| InChIKey | PMJVNUNOOIWGHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitrobenzaldehyde semicarbazone (CAS 5315-87-7), with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol. IUPAC: [(4-nitrophenyl)methylideneamino]urea.
Chemical Property Profile of p-Nitrobenzaldehyde semicarbazone
Property Insights of p-Nitrobenzaldehyde semicarbazone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrobenzaldehyde semicarbazone. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzaldehyde semicarbazone. Following Lipinski's Rule of Five, p-Nitrobenzaldehyde semicarbazone has 2 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 p-Nitrobenzaldehyde semicarbazone?
The CAS number of p-Nitrobenzaldehyde semicarbazone is 5315-87-7.
What is the molecular formula of p-Nitrobenzaldehyde semicarbazone?
The molecular formula of p-Nitrobenzaldehyde semicarbazone is C8H8N4O3.
What is the molecular weight of p-Nitrobenzaldehyde semicarbazone?
The molecular weight of p-Nitrobenzaldehyde semicarbazone is 208.06 g/mol.
Where can I buy p-Nitrobenzaldehyde semicarbazone?
You can request a quote for p-Nitrobenzaldehyde semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzaldehyde semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzaldehyde semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.