N-Methyl-N',N'-diphenylurea
TL;DR: N-Methyl-N',N'-diphenylurea (CAS 13114-72-2) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,1-diphenylurea
Also Known As: 3-Methyl-1,1-diphenylurea, N'-METHYL-N,N-DIPHENYLUREA, Akardite II, Urea, N'-methyl-N,N-diphenyl-, N-methyl-N',N'-diphenylurea
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
| Melting Point | 339.6 to 172.5 °C |
| Boiling Point | 397 to 205.0 °C at 760 mmHg (decomposes) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 13114-72-2 |
|---|---|
| SMILES | CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | IMFYAZJNDOZIFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-N',N'-diphenylurea (CAS 13114-72-2), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: 3-methyl-1,1-diphenylurea.
Chemical Property Profile of N-Methyl-N',N'-diphenylurea
Property Insights of N-Methyl-N',N'-diphenylurea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N',N'-diphenylurea. With a topological polar surface area (TPSA) of 32.3 Ų, N-Methyl-N',N'-diphenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N',N'-diphenylurea 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-Methyl-N',N'-diphenylurea?
The CAS number of N-Methyl-N',N'-diphenylurea is 13114-72-2.
What is the molecular formula of N-Methyl-N',N'-diphenylurea?
The molecular formula of N-Methyl-N',N'-diphenylurea is C14H14N2O.
What is the molecular weight of N-Methyl-N',N'-diphenylurea?
The molecular weight of N-Methyl-N',N'-diphenylurea is 226.11 g/mol.
Where can I buy N-Methyl-N',N'-diphenylurea?
You can request a quote for N-Methyl-N',N'-diphenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N',N'-diphenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N',N'-diphenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.