4-(Trifluoromethylsulfonyl)benzaldehyde
TL;DR: 4-(Trifluoromethylsulfonyl)benzaldehyde (CAS 650-89-5) is a chemical compound with molecular formula C8H5F3O3S and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfonyl)benzaldehyde
Also Known As: 4-(trifluoromethylsulfonyl)benzaldehyde, 4-trifluoromethanesulfonylbenzaldehyde, 4-trifluoromethylsulfonylbenzaldehyde, p-[(Trifluoromethyl)sulfonyl]benzaldehyde, 4-trifluoromethanesulfonyl-benzaldehyde
| Molecular Formula | C8H5F3O3S |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 1.7926 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.99115 |
| Heavy Atoms | 15 |
| Complexity | 458.90042 |
Chemical Identifiers
| CAS Number | 650-89-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)S(=O)(=O)C(F)(F)F |
Product Overview
4-(Trifluoromethylsulfonyl)benzaldehyde (CAS 650-89-5), with molecular formula C8H5F3O3S and molecular weight 237.99 g/mol. IUPAC: 4-(trifluoromethylsulfonyl)benzaldehyde.
Chemical Property Profile of 4-(Trifluoromethylsulfonyl)benzaldehyde
Property Insights of 4-(Trifluoromethylsulfonyl)benzaldehyde
The XLogP value of 1.7926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethylsulfonyl)benzaldehyde. With a topological polar surface area (TPSA) of 51.21 Ų, 4-(Trifluoromethylsulfonyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethylsulfonyl)benzaldehyde has 0 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 4-(Trifluoromethylsulfonyl)benzaldehyde?
The CAS number of 4-(Trifluoromethylsulfonyl)benzaldehyde is 650-89-5.
What is the molecular formula of 4-(Trifluoromethylsulfonyl)benzaldehyde?
The molecular formula of 4-(Trifluoromethylsulfonyl)benzaldehyde is C8H5F3O3S.
What is the molecular weight of 4-(Trifluoromethylsulfonyl)benzaldehyde?
The molecular weight of 4-(Trifluoromethylsulfonyl)benzaldehyde is 237.99 g/mol.
Where can I buy 4-(Trifluoromethylsulfonyl)benzaldehyde?
You can request a quote for 4-(Trifluoromethylsulfonyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylsulfonyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylsulfonyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.