3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
TL;DR: 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one (CAS 866144-16-3) is a chemical compound with molecular formula C10H8BrF3N2O and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
Also Known As: 3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one, (Z)-3-bromo-1,1,1-trifluoro-4-[(3-pyridinylmethyl)amino]-3-buten-2-one
| Molecular Formula | C10H8BrF3N2O |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 2.5389 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.9772 |
| Heavy Atoms | 17 |
| Complexity | 417.30923 |
Chemical Identifiers
| CAS Number | 866144-16-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC=C(C(=O)C(F)(F)F)Br |
Product Overview
3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one (CAS 866144-16-3), with molecular formula C10H8BrF3N2O and molecular weight 307.98 g/mol. IUPAC: 3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one.
Chemical Property Profile of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
Property Insights of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
The XLogP value of 2.5389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one. With a topological polar surface area (TPSA) of 41.99 Ų, 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one has 1 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 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one?
The CAS number of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one is 866144-16-3.
What is the molecular formula of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one?
The molecular formula of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one is C10H8BrF3N2O.
What is the molecular weight of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one?
The molecular weight of 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one is 307.98 g/mol.
Where can I buy 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one?
You can request a quote for 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.