N,N-二苯基脲
TL;DR: N,N-二苯基脲 (CAS 603-54-3) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二苯基脲
1,1-diphenylurea
Also Known As: 1,1-Diphenylurea, Diphenyl urea, N,N-Diphenylurea, Diphenylurea, Urea, diphenyl-
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
| Melting Point | 188.9 °C |
| Boiling Point | Decomposes |
| Density | 1.276 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 603-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N |
| InChIKey | XKAFKUGMXFMRCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-二苯基脲 (CAS 603-54-3), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: 1,1-diphenylurea.
Chemical Property Profile of N,N-二苯基脲
Property Insights of N,N-二苯基脲
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-二苯基脲. With a topological polar surface area (TPSA) of 46.3 Ų, N,N-二苯基脲 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二苯基脲 has 1 hydrogen bond donor(s) and 1 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 N,N-二苯基脲?
The CAS number of N,N-二苯基脲 is 603-54-3.
What is the molecular formula of N,N-二苯基脲?
The molecular formula of N,N-二苯基脲 is C13H12N2O.
What is the molecular weight of N,N-二苯基脲?
The molecular weight of N,N-二苯基脲 is 212.09 g/mol.
Where can I buy N,N-二苯基脲?
You can request a quote for N,N-二苯基脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二苯基脲?
Yes, KEHONG BIO provides custom synthesis services for N,N-二苯基脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.