[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
TL;DR: [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea (CAS 301176-95-4) is a chemical compound with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
Also Known As: BIM-0035517.P001, J3.329.923K, [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea, [(E)-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)amino]urea, (E)-2-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)hydrazinecarboxamide
| Molecular Formula | C13H10F3N3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.9676 |
| Topological Polar Surface Area | 80.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0725 |
| Heavy Atoms | 21 |
| Complexity | 677.29614 |
Chemical Identifiers
| CAS Number | 301176-95-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=N/NC(=O)N |
Product Overview
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea (CAS 301176-95-4), with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol. IUPAC: [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea.
Chemical Property Profile of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
Property Insights of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
The XLogP value of 2.9676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea. The TPSA of 80.62 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea. Following Lipinski's Rule of Five, [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea has 2 hydrogen bond donor(s) and 3 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 [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea?
The CAS number of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea is 301176-95-4.
What is the molecular formula of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea?
The molecular formula of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea is C13H10F3N3O2.
What is the molecular weight of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea?
The molecular weight of [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea is 297.07 g/mol.
Where can I buy [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea?
You can request a quote for [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.