1-(2-Fluoroethyl)-3-phenylurea
TL;DR: 1-(2-Fluoroethyl)-3-phenylurea (CAS 331-07-7) 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.
1-(2-fluoroethyl)-3-phenylurea
Also Known As: 1-(2-Fluoroethyl)-3-phenylurea, N-2-Fluoroethyl-N'-phenylurea, NIOSH/TY3972000, Urea, 1-(2-fluoroethyl)-3-phenyl-, N-(2-fluoro-ethyl)-N'-phenyl-urea
| Molecular Formula | C9H11FN2O |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08554 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 331-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCCF |
| InChIKey | OFIOVEVMZIFQLI-UHFFFAOYSA-N |
Product Overview
1-(2-Fluoroethyl)-3-phenylurea (CAS 331-07-7), with molecular formula C9H11FN2O and molecular weight 182.09 g/mol. IUPAC: 1-(2-fluoroethyl)-3-phenylurea.
Chemical Property Profile of 1-(2-Fluoroethyl)-3-phenylurea
Property Insights of 1-(2-Fluoroethyl)-3-phenylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Fluoroethyl)-3-phenylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Fluoroethyl)-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Fluoroethyl)-3-phenylurea 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 1-(2-Fluoroethyl)-3-phenylurea?
The CAS number of 1-(2-Fluoroethyl)-3-phenylurea is 331-07-7.
What is the molecular formula of 1-(2-Fluoroethyl)-3-phenylurea?
The molecular formula of 1-(2-Fluoroethyl)-3-phenylurea is C9H11FN2O.
What is the molecular weight of 1-(2-Fluoroethyl)-3-phenylurea?
The molecular weight of 1-(2-Fluoroethyl)-3-phenylurea is 182.09 g/mol.
Where can I buy 1-(2-Fluoroethyl)-3-phenylurea?
You can request a quote for 1-(2-Fluoroethyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Fluoroethyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluoroethyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.