Nicotinaldehyde semicarbazone
TL;DR: Nicotinaldehyde semicarbazone (CAS 120445-71-8) is a chemical compound with molecular formula C7H8N4O and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-pyridin-3-ylmethylideneamino]urea
Also Known As: Nicotinaldehyde semicarbazone, [(pyridin-3-ylmethylidene)amino]urea, EINECS 236-442-8, 3-Pyridinecarbaldehyde semicarbazone, [(E)-pyridin-3-ylmethylideneamino]urea
| Molecular Formula | C7H8N4O |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 0.0838 |
| Topological Polar Surface Area | 80.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.06981 |
| Heavy Atoms | 12 |
| Complexity | 282.71768 |
Chemical Identifiers
| CAS Number | 120445-71-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/NC(=O)N |
Product Overview
Nicotinaldehyde semicarbazone (CAS 120445-71-8), with molecular formula C7H8N4O and molecular weight 164.07 g/mol. IUPAC: [(E)-pyridin-3-ylmethylideneamino]urea.
Chemical Property Profile of Nicotinaldehyde semicarbazone
Property Insights of Nicotinaldehyde semicarbazone
The XLogP value of 0.0838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinaldehyde semicarbazone. The TPSA of 80.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinaldehyde semicarbazone. Following Lipinski's Rule of Five, Nicotinaldehyde semicarbazone has 2 hydrogen bond donor(s) and 3 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 Nicotinaldehyde semicarbazone?
The CAS number of Nicotinaldehyde semicarbazone is 120445-71-8.
What is the molecular formula of Nicotinaldehyde semicarbazone?
The molecular formula of Nicotinaldehyde semicarbazone is C7H8N4O.
What is the molecular weight of Nicotinaldehyde semicarbazone?
The molecular weight of Nicotinaldehyde semicarbazone is 164.07 g/mol.
Where can I buy Nicotinaldehyde semicarbazone?
You can request a quote for Nicotinaldehyde semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinaldehyde semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Nicotinaldehyde semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.