Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-
TL;DR: Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- (CAS 107598-70-9) is a chemical compound with molecular formula C12H17FN2O and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluoro-4-propan-2-ylphenyl)-1,1-dimethylurea
Also Known As: Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-, 3-(3-fluoro-4-propan-2-ylphenyl)-1,1-dimethylurea, 1-(3-Fluoro-4-isopropylphenyl)-3,3-dimethylurea, 1-[3-fluoro-4-(propan-2-yl)phenyl]-3,3-dimethylurea, 3-(3-fluoro-4-propan-2-yl-phenyl)-1,1-dimethyl-urea
| Molecular Formula | C12H17FN2O |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.13249 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 107598-70-9 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)NC(=O)N(C)C)F |
| InChIKey | GPYDDMBVTNRDDF-UHFFFAOYSA-N |
Product Overview
Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- (CAS 107598-70-9), with molecular formula C12H17FN2O and molecular weight 224.13 g/mol. IUPAC: 3-(3-fluoro-4-propan-2-ylphenyl)-1,1-dimethylurea.
Chemical Property Profile of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-
Property Insights of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-. With a topological polar surface area (TPSA) of 32.3 Ų, Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- 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 Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-?
The CAS number of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- is 107598-70-9.
What is the molecular formula of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-?
The molecular formula of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- is C12H17FN2O.
What is the molecular weight of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-?
The molecular weight of Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- is 224.13 g/mol.
Where can I buy Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-?
You can request a quote for Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(3-fluoro-4-(1-methylethyl)phenyl)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.