1-p-Tolylsemicarbazide
TL;DR: 1-p-Tolylsemicarbazide (CAS 50353-66-7) is a chemical compound with molecular formula C8H11N3O and molecular weight 165.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylanilino)urea
Also Known As: 1-p-Tolylsemicarbazide, 1- semicarbazide, p-Tolylsemicarbazid, (4-methylanilino)urea, [(4-methylphenyl)amino]urea
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.09021 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.09021 Da |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| SMILES | CC1=CC=C(C=C1)NNC(=O)N |
| InChIKey | ZYKTTXOTZLXBES-UHFFFAOYSA-N |
Chemical Property Profile of 1-p-Tolylsemicarbazide
Property Insights of 1-p-Tolylsemicarbazide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-p-Tolylsemicarbazide. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-p-Tolylsemicarbazide. Following Lipinski's Rule of Five, 1-p-Tolylsemicarbazide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-p-Tolylsemicarbazide?
The CAS number of 1-p-Tolylsemicarbazide is 50353-66-7.
What is the molecular formula of 1-p-Tolylsemicarbazide?
The molecular formula of 1-p-Tolylsemicarbazide is C8H11N3O.
What is the molecular weight of 1-p-Tolylsemicarbazide?
The molecular weight of 1-p-Tolylsemicarbazide is 165.09021 g/mol.
Where can I buy 1-p-Tolylsemicarbazide?
You can request a quote for 1-p-Tolylsemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-p-Tolylsemicarbazide?
Yes, CoreyChem provides custom synthesis services for 1-p-Tolylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.