Phenylmethylsemicarbazone
TL;DR: Phenylmethylsemicarbazone (CAS 1722-94-7) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-phenylethylideneamino]urea
Also Known As: phenylmethylsemicarbazone, (phenethylideneamino)urea, phenylacetaldehyde semicarbazone, Benzeneacetaldehyde semicarbazone, [(2-phenylethylidene)amino]urea
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 0.8832 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 294.98795 |
Chemical Identifiers
| CAS Number | 1722-94-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C/C=N/NC(=O)N |
Product Overview
Phenylmethylsemicarbazone (CAS 1722-94-7), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: [(E)-2-phenylethylideneamino]urea.
Chemical Property Profile of Phenylmethylsemicarbazone
Property Insights of Phenylmethylsemicarbazone
The XLogP value of 0.8832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethylsemicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethylsemicarbazone. Following Lipinski's Rule of Five, Phenylmethylsemicarbazone has 2 hydrogen bond donor(s) and 2 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 Phenylmethylsemicarbazone?
The CAS number of Phenylmethylsemicarbazone is 1722-94-7.
What is the molecular formula of Phenylmethylsemicarbazone?
The molecular formula of Phenylmethylsemicarbazone is C9H11N3O.
What is the molecular weight of Phenylmethylsemicarbazone?
The molecular weight of Phenylmethylsemicarbazone is 177.09 g/mol.
Where can I buy Phenylmethylsemicarbazone?
You can request a quote for Phenylmethylsemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethylsemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethylsemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.