2-(Phenylsulfonyl)benzaldehyde
TL;DR: 2-(Phenylsulfonyl)benzaldehyde (CAS 126076-76-4) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)benzaldehyde
Also Known As: 2-(phenylsulfonyl)benzaldehyde, 2-(benzenesulfonyl)benzaldehyde, benzaldehyde, 2-(phenylsulfonyl)-, 2-Benzenesulfonyl-benzaldehyde, 2-benzenesulfonylbenzaldehyde
| Molecular Formula | C13H10O3S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03506 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 126076-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C=O |
| InChIKey | CWKMIEALBOKDCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylsulfonyl)benzaldehyde (CAS 126076-76-4), with molecular formula C13H10O3S and molecular weight 246.04 g/mol. IUPAC: 2-(benzenesulfonyl)benzaldehyde.
Chemical Property Profile of 2-(Phenylsulfonyl)benzaldehyde
Property Insights of 2-(Phenylsulfonyl)benzaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylsulfonyl)benzaldehyde. With a topological polar surface area (TPSA) of 59.6 Ų, 2-(Phenylsulfonyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)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 2-(Phenylsulfonyl)benzaldehyde?
The CAS number of 2-(Phenylsulfonyl)benzaldehyde is 126076-76-4.
What is the molecular formula of 2-(Phenylsulfonyl)benzaldehyde?
The molecular formula of 2-(Phenylsulfonyl)benzaldehyde is C13H10O3S.
What is the molecular weight of 2-(Phenylsulfonyl)benzaldehyde?
The molecular weight of 2-(Phenylsulfonyl)benzaldehyde is 246.04 g/mol.
Where can I buy 2-(Phenylsulfonyl)benzaldehyde?
You can request a quote for 2-(Phenylsulfonyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfonyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfonyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.