2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-
TL;DR: 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- (CAS 80070-76-4) is a chemical compound with molecular formula C10H7ClF3NO and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobut-2-en-1-one
Also Known As: 3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobut-2-en-1-one, 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-
| Molecular Formula | C10H7ClF3NO |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 2.9276 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.01683 |
| Heavy Atoms | 16 |
| Complexity | 422.68542 |
Chemical Identifiers
| CAS Number | 80070-76-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=C(C(F)(F)F)N)Cl |
Product Overview
2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- (CAS 80070-76-4), with molecular formula C10H7ClF3NO and molecular weight 249.02 g/mol. IUPAC: 3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-
Property Insights of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-
The XLogP value of 2.9276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-. With a topological polar surface area (TPSA) of 43.09 Ų, 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- 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 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-?
The CAS number of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- is 80070-76-4.
What is the molecular formula of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-?
The molecular formula of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- is C10H7ClF3NO.
What is the molecular weight of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-?
The molecular weight of 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- is 249.02 g/mol.
Where can I buy 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-?
You can request a quote for 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-amino-1-(4-chlorophenyl)-4,4,4-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.