3-Formylphenyl benzenesulfonate
TL;DR: 3-Formylphenyl benzenesulfonate (CAS 13493-49-7) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.02997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-formylphenyl) benzenesulfonate
Also Known As: 3-formylphenyl benzenesulfonate, (3-formylphenyl) benzenesulfonate, 3-formylphenyl 1-benzenesulfonate, 3-(benzenesulfonyloxy)benzaldehyde, 3-[(Phenylsulfonyl)oxy]benzaldehyde
Technical Specifications
| Molecular Formula | C13H10O4S |
| Molecular Weight | 262.02997 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.02997 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=O |
| InChIKey | NACJAMSPPRWASP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Formylphenyl benzenesulfonate
Property Insights of 3-Formylphenyl benzenesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylphenyl benzenesulfonate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formylphenyl benzenesulfonate. Following Lipinski's Rule of Five, 3-Formylphenyl benzenesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Formylphenyl benzenesulfonate?
The CAS number of 3-Formylphenyl benzenesulfonate is 13493-49-7.
What is the molecular formula of 3-Formylphenyl benzenesulfonate?
The molecular formula of 3-Formylphenyl benzenesulfonate is C13H10O4S.
What is the molecular weight of 3-Formylphenyl benzenesulfonate?
The molecular weight of 3-Formylphenyl benzenesulfonate is 262.02997 g/mol.
Where can I buy 3-Formylphenyl benzenesulfonate?
You can request a quote for 3-Formylphenyl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Formylphenyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 3-Formylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.