3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate
TL;DR: 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate (CAS 745783-91-9) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
Also Known As: 3,3,3-trifluoro-1-phenylpropane-1,2-dione hydrate, 2-(Trifluoromethyl)phenylglyoxal hydrate, 3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate, 1-phenyl-3,3,3-trifluoro-1,2-propanedione monohydrate, 3 3 3-TRIFLUORO-1-PHENYL-1 2-PROPANEDIO&
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.176 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 356.61536 |
Chemical Identifiers
| CAS Number | 745783-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C(F)(F)F.O |
Product Overview
3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate (CAS 745783-91-9), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate.
Chemical Property Profile of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate
Property Insights of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate
The XLogP value of 1.176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate. Following Lipinski's Rule of Five, 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate has 0 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 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate?
The CAS number of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate is 745783-91-9.
What is the molecular formula of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate?
The molecular formula of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate is C9H7F3O3.
What is the molecular weight of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate?
The molecular weight of 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate is 220.03 g/mol.
Where can I buy 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate?
You can request a quote for 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoro-1-phenylpropane-1,2-dione hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.