4-Methyl-3-(trifluoromethyl)benzaldehyde
TL;DR: 4-Methyl-3-(trifluoromethyl)benzaldehyde (CAS 50823-87-5) is a chemical compound with molecular formula C9H7F3O and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(trifluoromethyl)benzaldehyde
Also Known As: 4-Methyl-3-(trifluoromethyl)benzaldehyde, Benzaldehyde, 4-methyl-3-(trifluoromethyl)-, Benzaldehyde,4-methoxy-3-(trifluoromethyl)-, 4-Methyl-3-(trifluoromethyl)benzaldehyde, 97%, 888-426-0
| Molecular Formula | C9H7F3O |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.82632 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.0449 |
| Heavy Atoms | 13 |
| Complexity | 328.12198 |
Chemical Identifiers
| CAS Number | 50823-87-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C=O)C(F)(F)F |
Product Overview
4-Methyl-3-(trifluoromethyl)benzaldehyde (CAS 50823-87-5), with molecular formula C9H7F3O and molecular weight 188.04 g/mol. IUPAC: 4-methyl-3-(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 4-Methyl-3-(trifluoromethyl)benzaldehyde
Property Insights of 4-Methyl-3-(trifluoromethyl)benzaldehyde
The XLogP value of 2.82632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(trifluoromethyl)benzaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Methyl-3-(trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(trifluoromethyl)benzaldehyde has 0 hydrogen bond donor(s) and 1 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-Methyl-3-(trifluoromethyl)benzaldehyde?
The CAS number of 4-Methyl-3-(trifluoromethyl)benzaldehyde is 50823-87-5.
What is the molecular formula of 4-Methyl-3-(trifluoromethyl)benzaldehyde?
The molecular formula of 4-Methyl-3-(trifluoromethyl)benzaldehyde is C9H7F3O.
What is the molecular weight of 4-Methyl-3-(trifluoromethyl)benzaldehyde?
The molecular weight of 4-Methyl-3-(trifluoromethyl)benzaldehyde is 188.04 g/mol.
Where can I buy 4-Methyl-3-(trifluoromethyl)benzaldehyde?
You can request a quote for 4-Methyl-3-(trifluoromethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(trifluoromethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(trifluoromethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.