(4-Fluoro-3-methylphenyl)urea
TL;DR: (4-Fluoro-3-methylphenyl)urea (CAS 78508-45-9) is a chemical compound with molecular formula C8H9FN2O and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluoro-3-methylphenyl)urea
Also Known As: (4-FLUORO-3-METHYLPHENYL)UREA, 3-methyl-4-fluorophenylurea, N-(4-Fluoro-3-methylphenyl)urea, J1.587.572K, RefChem:208769
| Molecular Formula | C8H9FN2O |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06989 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 78508-45-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)N)F |
| InChIKey | FPZGSLWNDUCKEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Fluoro-3-methylphenyl)urea (CAS 78508-45-9), with molecular formula C8H9FN2O and molecular weight 168.07 g/mol. IUPAC: (4-fluoro-3-methylphenyl)urea.
Chemical Property Profile of (4-Fluoro-3-methylphenyl)urea
Property Insights of (4-Fluoro-3-methylphenyl)urea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluoro-3-methylphenyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, (4-Fluoro-3-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Fluoro-3-methylphenyl)urea 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-Fluoro-3-methylphenyl)urea?
The CAS number of (4-Fluoro-3-methylphenyl)urea is 78508-45-9.
What is the molecular formula of (4-Fluoro-3-methylphenyl)urea?
The molecular formula of (4-Fluoro-3-methylphenyl)urea is C8H9FN2O.
What is the molecular weight of (4-Fluoro-3-methylphenyl)urea?
The molecular weight of (4-Fluoro-3-methylphenyl)urea is 168.07 g/mol.
Where can I buy (4-Fluoro-3-methylphenyl)urea?
You can request a quote for (4-Fluoro-3-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluoro-3-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluoro-3-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.