4-Bromo-2-(methylsulfonyl)benzaldehyde
TL;DR: 4-Bromo-2-(methylsulfonyl)benzaldehyde (CAS 849035-77-4) is a chemical compound with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methylsulfonylbenzaldehyde
Also Known As: 4-Bromo-2-(methylsulfonyl)benzaldehyde, 4-bromo-2-methylsulfonylbenzaldehyde, 4-bromo-2-methanesulfonylbenzaldehyde, 4-Bromo-2-(methylsulphonyl)benzaldehyde, Benzaldehyde, 4-bromo-2-(methylsulfonyl)-
| Molecular Formula | C8H7BrO3S |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 1.6651 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.92993 |
| Heavy Atoms | 13 |
| Complexity | 436.7024 |
Chemical Identifiers
| CAS Number | 849035-77-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)Br)C=O |
Product Overview
4-Bromo-2-(methylsulfonyl)benzaldehyde (CAS 849035-77-4), with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol. IUPAC: 4-bromo-2-methylsulfonylbenzaldehyde.
Chemical Property Profile of 4-Bromo-2-(methylsulfonyl)benzaldehyde
Property Insights of 4-Bromo-2-(methylsulfonyl)benzaldehyde
The XLogP value of 1.6651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(methylsulfonyl)benzaldehyde. With a topological polar surface area (TPSA) of 51.21 Ų, 4-Bromo-2-(methylsulfonyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(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
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-(methylsulfonyl)benzaldehyde?
The CAS number of 4-Bromo-2-(methylsulfonyl)benzaldehyde is 849035-77-4.
What is the molecular formula of 4-Bromo-2-(methylsulfonyl)benzaldehyde?
The molecular formula of 4-Bromo-2-(methylsulfonyl)benzaldehyde is C8H7BrO3S.
What is the molecular weight of 4-Bromo-2-(methylsulfonyl)benzaldehyde?
The molecular weight of 4-Bromo-2-(methylsulfonyl)benzaldehyde is 261.93 g/mol.
Where can I buy 4-Bromo-2-(methylsulfonyl)benzaldehyde?
You can request a quote for 4-Bromo-2-(methylsulfonyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(methylsulfonyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(methylsulfonyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.