2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone
TL;DR: 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone (CAS 314764-07-3) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[(E)-(2,4,6-trimethylphenyl)methylideneamino]urea
Also Known As: 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone, AN-329/40184131, 1-phenyl-3-[(E)-(2,4,6-trimethylphenyl)methylideneamino]urea, (2E)-N-phenyl-2-(2,4,6-trimethylbenzylidene)hydrazinecarboxamide, {[(1E)-2-(2,4,6-trimethylphenyl)-1-azavinyl]amino}-N-benzamide
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.76746 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 639.9855 |
Chemical Identifiers
| CAS Number | 314764-07-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)/C=N/NC(=O)NC2=CC=CC=C2)C |
Product Overview
2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone (CAS 314764-07-3), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 1-phenyl-3-[(E)-(2,4,6-trimethylphenyl)methylideneamino]urea.
Chemical Property Profile of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone
Property Insights of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone
The XLogP value of 3.76746 indicates that 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.49 Ų, 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone 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 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone?
The CAS number of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone is 314764-07-3.
What is the molecular formula of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone?
The molecular formula of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone is C17H19N3O.
What is the molecular weight of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone?
The molecular weight of 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone is 281.15 g/mol.
Where can I buy 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone?
You can request a quote for 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-trimethylbenzaldehyde N-phenylsemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.