4-Methyl-1-phenylsemicarbazide
TL;DR: 4-Methyl-1-phenylsemicarbazide (CAS 5585-85-3) is a chemical compound with molecular formula C8H11N3O and molecular weight 165.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-methylurea
Also Known As: 1-anilino-3-methylurea, 4-methyl-1-phenylsemicarbazide, n-methyl-2-phenylhydrazinecarboxamide, 3-METHYL-1-(PHENYLAMINO)UREA, N-Methyl-2-phenylhydrazine-1-carboximidic acid
| Molecular Formula | C8H11N3O |
|---|---|
| Molecular Weight | 165.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.09021 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 5585-85-3 |
|---|---|
| SMILES | CNC(=O)NNC1=CC=CC=C1 |
| InChIKey | VWURCVOOEAIBAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-phenylsemicarbazide (CAS 5585-85-3), with molecular formula C8H11N3O and molecular weight 165.09 g/mol. IUPAC: 1-anilino-3-methylurea.
Chemical Property Profile of 4-Methyl-1-phenylsemicarbazide
Property Insights of 4-Methyl-1-phenylsemicarbazide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-phenylsemicarbazide. With a topological polar surface area (TPSA) of 53.2 Ų, 4-Methyl-1-phenylsemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-phenylsemicarbazide 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
Frequently Asked Questions
What is the CAS number of 4-Methyl-1-phenylsemicarbazide?
The CAS number of 4-Methyl-1-phenylsemicarbazide is 5585-85-3.
What is the molecular formula of 4-Methyl-1-phenylsemicarbazide?
The molecular formula of 4-Methyl-1-phenylsemicarbazide is C8H11N3O.
What is the molecular weight of 4-Methyl-1-phenylsemicarbazide?
The molecular weight of 4-Methyl-1-phenylsemicarbazide is 165.09 g/mol.
Where can I buy 4-Methyl-1-phenylsemicarbazide?
You can request a quote for 4-Methyl-1-phenylsemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-phenylsemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-phenylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.