1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-
TL;DR: 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- (CAS 582-73-0) is a chemical compound with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
Also Known As: 4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione, 4,4,4-trifluoro-1-(pyridin-3-yl)butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-, 4,4,4-Trifluoro-1-(3-pyridyl)-1,3-butanedione, TOS-BB-0674
| Molecular Formula | C9H6F3NO2 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.03506 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 582-73-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)CC(=O)C(F)(F)F |
| InChIKey | MXVYPMBHALRMDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- (CAS 582-73-0), with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol. IUPAC: 4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-
Property Insights of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-. With a topological polar surface area (TPSA) of 47.0 Ų, 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- has 0 hydrogen bond donor(s) and 6 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 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-?
The CAS number of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- is 582-73-0.
What is the molecular formula of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-?
The molecular formula of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- is C9H6F3NO2.
What is the molecular weight of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-?
The molecular weight of 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- is 217.04 g/mol.
Where can I buy 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-?
You can request a quote for 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.