3-(3-Fluorophenyl)-1,1-dimethylurea
TL;DR: 3-(3-Fluorophenyl)-1,1-dimethylurea (CAS 330-39-2) is a chemical compound with molecular formula C9H11FN2O and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-1,1-dimethylurea
Also Known As: 3-(3-fluorophenyl)-1,1-dimethylurea, Urea, 3-(m-fluorophenyl)-1,1-dimethyl-, 1-(3-fluorophenyl)-3,3-dimethylurea, 1,1-Dimethyl-3-(3-fluorophenyl)urea, 1,1-Dimethyl-3-[3-fluorophenyl]urea
| Molecular Formula | C9H11FN2O |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.08554 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 330-39-2 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC(=CC=C1)F |
| InChIKey | ANWCBSUPTRJETC-UHFFFAOYSA-N |
Product Overview
3-(3-Fluorophenyl)-1,1-dimethylurea (CAS 330-39-2), with molecular formula C9H11FN2O and molecular weight 182.09 g/mol. IUPAC: 3-(3-fluorophenyl)-1,1-dimethylurea.
Chemical Property Profile of 3-(3-Fluorophenyl)-1,1-dimethylurea
Property Insights of 3-(3-Fluorophenyl)-1,1-dimethylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluorophenyl)-1,1-dimethylurea. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(3-Fluorophenyl)-1,1-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluorophenyl)-1,1-dimethylurea has 1 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 3-(3-Fluorophenyl)-1,1-dimethylurea?
The CAS number of 3-(3-Fluorophenyl)-1,1-dimethylurea is 330-39-2.
What is the molecular formula of 3-(3-Fluorophenyl)-1,1-dimethylurea?
The molecular formula of 3-(3-Fluorophenyl)-1,1-dimethylurea is C9H11FN2O.
What is the molecular weight of 3-(3-Fluorophenyl)-1,1-dimethylurea?
The molecular weight of 3-(3-Fluorophenyl)-1,1-dimethylurea is 182.09 g/mol.
Where can I buy 3-(3-Fluorophenyl)-1,1-dimethylurea?
You can request a quote for 3-(3-Fluorophenyl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Fluorophenyl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorophenyl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.