4-Methylphenyl 4-formylbenzenesulfonate
TL;DR: 4-Methylphenyl 4-formylbenzenesulfonate (CAS 106939-95-1) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-formylbenzenesulfonate
Also Known As: 4-Methylphenyl 4-formylbenzenesulfonate, 4-Methylphenyl 4-formylbenzene-1-sulfonate, (4-methylphenyl) 4-formylbenzenesulfonate, J1.595.428K, 4-Formylbenzenesulfonic acid 4-methylphenyl ester
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.57522 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 670.3908 |
Chemical Identifiers
| CAS Number | 106939-95-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C=O |
Product Overview
4-Methylphenyl 4-formylbenzenesulfonate (CAS 106939-95-1), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: (4-methylphenyl) 4-formylbenzenesulfonate.
Chemical Property Profile of 4-Methylphenyl 4-formylbenzenesulfonate
Property Insights of 4-Methylphenyl 4-formylbenzenesulfonate
The XLogP value of 2.57522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl 4-formylbenzenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl 4-formylbenzenesulfonate. Following Lipinski's Rule of Five, 4-Methylphenyl 4-formylbenzenesulfonate 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
Frequently Asked Questions
What is the CAS number of 4-Methylphenyl 4-formylbenzenesulfonate?
The CAS number of 4-Methylphenyl 4-formylbenzenesulfonate is 106939-95-1.
What is the molecular formula of 4-Methylphenyl 4-formylbenzenesulfonate?
The molecular formula of 4-Methylphenyl 4-formylbenzenesulfonate is C14H12O4S.
What is the molecular weight of 4-Methylphenyl 4-formylbenzenesulfonate?
The molecular weight of 4-Methylphenyl 4-formylbenzenesulfonate is 276.05 g/mol.
Where can I buy 4-Methylphenyl 4-formylbenzenesulfonate?
You can request a quote for 4-Methylphenyl 4-formylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-formylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-formylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.