3-硝基苯甲醛缩氨脲
TL;DR: 3-硝基苯甲醛缩氨脲 (CAS 5346-31-6) 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.
3-硝基苯甲醛缩氨脲
[(3-nitrophenyl)methylideneamino]urea
Also Known As: 3-Nitrobenzaldehyde semicarbazone, [(3-nitrophenyl)methylideneamino]urea, 659-594-0, RefChem:504478
| Molecular Formula | C8H8N4O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.1 |
| 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 | 274.0 |
Chemical Identifiers
| CAS Number | 5346-31-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)N |
| InChIKey | OOGYRKBIKDXALD-UHFFFAOYSA-N |
Product Overview
3-硝基苯甲醛缩氨脲 (CAS 5346-31-6), with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol. IUPAC: [(3-nitrophenyl)methylideneamino]urea.
Chemical Property Profile of 3-硝基苯甲醛缩氨脲
Property Insights of 3-硝基苯甲醛缩氨脲
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲醛缩氨脲. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲醛缩氨脲. Following Lipinski's Rule of Five, 3-硝基苯甲醛缩氨脲 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 3-硝基苯甲醛缩氨脲?
The CAS number of 3-硝基苯甲醛缩氨脲 is 5346-31-6.
What is the molecular formula of 3-硝基苯甲醛缩氨脲?
The molecular formula of 3-硝基苯甲醛缩氨脲 is C8H8N4O3.
What is the molecular weight of 3-硝基苯甲醛缩氨脲?
The molecular weight of 3-硝基苯甲醛缩氨脲 is 208.06 g/mol.
Where can I buy 3-硝基苯甲醛缩氨脲?
You can request a quote for 3-硝基苯甲醛缩氨脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苯甲醛缩氨脲?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲醛缩氨脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.