4-Trifluoromethylphenylglyoxal hydrate
TL;DR: 4-Trifluoromethylphenylglyoxal hydrate (CAS 61636-28-0) 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.
2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;hydrate
Also Known As: 4-Trifluoromethylphenylglyoxal hydrate, 4-(Trifluoromethyl)phenylglyoxal hydrate, 2-OXO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE HYDRATE, 4-Trifluoromethylphenylglyoxal, 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde Hydrate
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.2623 |
| 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 | 353.86047 |
Chemical Identifiers
| CAS Number | 61636-28-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=O)C(F)(F)F.O |
Product Overview
4-Trifluoromethylphenylglyoxal hydrate (CAS 61636-28-0), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;hydrate.
Chemical Property Profile of 4-Trifluoromethylphenylglyoxal hydrate
Property Insights of 4-Trifluoromethylphenylglyoxal hydrate
The XLogP value of 1.2623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethylphenylglyoxal hydrate. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trifluoromethylphenylglyoxal hydrate. Following Lipinski's Rule of Five, 4-Trifluoromethylphenylglyoxal 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 4-Trifluoromethylphenylglyoxal hydrate?
The CAS number of 4-Trifluoromethylphenylglyoxal hydrate is 61636-28-0.
What is the molecular formula of 4-Trifluoromethylphenylglyoxal hydrate?
The molecular formula of 4-Trifluoromethylphenylglyoxal hydrate is C9H7F3O3.
What is the molecular weight of 4-Trifluoromethylphenylglyoxal hydrate?
The molecular weight of 4-Trifluoromethylphenylglyoxal hydrate is 220.03 g/mol.
Where can I buy 4-Trifluoromethylphenylglyoxal hydrate?
You can request a quote for 4-Trifluoromethylphenylglyoxal hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethylphenylglyoxal hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethylphenylglyoxal hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.