4,4-Diphenylsemicarbazide
TL;DR: 4,4-Diphenylsemicarbazide (CAS 603-51-0) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,1-diphenylurea
Also Known As: 4,4-Diphenylsemicarbazide, N,N-Diphenylhydrazinecarboxamide, 3-amino-1,1-diphenylurea, ???diphenylamine, Semicarbazide, 4,4-diphenyl-
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 603-51-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NN |
| InChIKey | VVVFQQJJJRFDTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Diphenylsemicarbazide (CAS 603-51-0), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 3-amino-1,1-diphenylurea.
Chemical Property Profile of 4,4-Diphenylsemicarbazide
Property Insights of 4,4-Diphenylsemicarbazide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diphenylsemicarbazide. With a topological polar surface area (TPSA) of 58.4 Ų, 4,4-Diphenylsemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diphenylsemicarbazide 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 4,4-Diphenylsemicarbazide?
The CAS number of 4,4-Diphenylsemicarbazide is 603-51-0.
What is the molecular formula of 4,4-Diphenylsemicarbazide?
The molecular formula of 4,4-Diphenylsemicarbazide is C13H13N3O.
What is the molecular weight of 4,4-Diphenylsemicarbazide?
The molecular weight of 4,4-Diphenylsemicarbazide is 227.11 g/mol.
Where can I buy 4,4-Diphenylsemicarbazide?
You can request a quote for 4,4-Diphenylsemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diphenylsemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diphenylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.