4-Acetyl-benzonitrile semicarbazone
TL;DR: 4-Acetyl-benzonitrile semicarbazone (CAS 71864-73-8) is a chemical compound with molecular formula C10H10N4O and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-cyanophenyl)ethylideneamino]urea
Also Known As: 4-acetyl-benzonitrile semicarbazone, [1-(4-cyanophenyl)ethylideneamino]urea, 4-(1-semicarbazono-ethyl)-benzonitrile
| Molecular Formula | C10H10N4O |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 0.95058 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.08546 |
| Heavy Atoms | 15 |
| Complexity | 427.73077 |
Chemical Identifiers
| CAS Number | 71864-73-8 |
|---|---|
| SMILES | CC(=NNC(=O)N)C1=CC=C(C=C1)C#N |
Product Overview
4-Acetyl-benzonitrile semicarbazone (CAS 71864-73-8), with molecular formula C10H10N4O and molecular weight 202.09 g/mol. IUPAC: [1-(4-cyanophenyl)ethylideneamino]urea.
Chemical Property Profile of 4-Acetyl-benzonitrile semicarbazone
Property Insights of 4-Acetyl-benzonitrile semicarbazone
The XLogP value of 0.95058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-benzonitrile semicarbazone. The TPSA of 91.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-benzonitrile semicarbazone. Following Lipinski's Rule of Five, 4-Acetyl-benzonitrile 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 4-Acetyl-benzonitrile semicarbazone?
The CAS number of 4-Acetyl-benzonitrile semicarbazone is 71864-73-8.
What is the molecular formula of 4-Acetyl-benzonitrile semicarbazone?
The molecular formula of 4-Acetyl-benzonitrile semicarbazone is C10H10N4O.
What is the molecular weight of 4-Acetyl-benzonitrile semicarbazone?
The molecular weight of 4-Acetyl-benzonitrile semicarbazone is 202.09 g/mol.
Where can I buy 4-Acetyl-benzonitrile semicarbazone?
You can request a quote for 4-Acetyl-benzonitrile semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-benzonitrile semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-benzonitrile semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.