2-Chloro-4-(methylsulfonyl)benzaldehyde
TL;DR: 2-Chloro-4-(methylsulfonyl)benzaldehyde (CAS 101349-95-5) is a chemical compound with molecular formula C8H7ClO3S and molecular weight 217.98044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-methylsulfonylbenzaldehyde
Also Known As: 2-chloro-4-(methylsulfonyl)benzaldehyde, 2-chloro-4-methylsulfonylbenzaldehyde, 2-chloro-4-methanesulfonylbenzaldehyde, 2-Chloro-4-(methylsulfonyl)-benzaldehyde, 2-CHLORO-4-METHANESULFONYL-BENZALDEHYDE
Technical Specifications
| Molecular Formula | C8H7ClO3S |
| Molecular Weight | 217.98044 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.98044 Da |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C=O)Cl |
| InChIKey | FSZMGEPPBLUUFS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-(methylsulfonyl)benzaldehyde
Property Insights of 2-Chloro-4-(methylsulfonyl)benzaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(methylsulfonyl)benzaldehyde. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Chloro-4-(methylsulfonyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(methylsulfonyl)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
What is the CAS number of 2-Chloro-4-(methylsulfonyl)benzaldehyde?
The CAS number of 2-Chloro-4-(methylsulfonyl)benzaldehyde is 101349-95-5.
What is the molecular formula of 2-Chloro-4-(methylsulfonyl)benzaldehyde?
The molecular formula of 2-Chloro-4-(methylsulfonyl)benzaldehyde is C8H7ClO3S.
What is the molecular weight of 2-Chloro-4-(methylsulfonyl)benzaldehyde?
The molecular weight of 2-Chloro-4-(methylsulfonyl)benzaldehyde is 217.98044 g/mol.
Where can I buy 2-Chloro-4-(methylsulfonyl)benzaldehyde?
You can request a quote for 2-Chloro-4-(methylsulfonyl)benzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-(methylsulfonyl)benzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-(methylsulfonyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.