(2-Acetylphenyl) 4-methylbenzenesulfonate
TL;DR: (2-Acetylphenyl) 4-methylbenzenesulfonate (CAS 70188-11-3) is a chemical compound with molecular formula C15H14O4S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) 4-methylbenzenesulfonate
Also Known As: (2-acetylphenyl) 4-methylbenzenesulfonate, 2-acetylphenyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C15H14O4S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.96532 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.06128 |
| Heavy Atoms | 20 |
| Complexity | 730.72375 |
Chemical Identifiers
| CAS Number | 70188-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C |
Product Overview
(2-Acetylphenyl) 4-methylbenzenesulfonate (CAS 70188-11-3), with molecular formula C15H14O4S and molecular weight 290.06 g/mol. IUPAC: (2-acetylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (2-Acetylphenyl) 4-methylbenzenesulfonate
Property Insights of (2-Acetylphenyl) 4-methylbenzenesulfonate
The XLogP value of 2.96532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Acetylphenyl) 4-methylbenzenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Acetylphenyl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (2-Acetylphenyl) 4-methylbenzenesulfonate 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 (2-Acetylphenyl) 4-methylbenzenesulfonate?
The CAS number of (2-Acetylphenyl) 4-methylbenzenesulfonate is 70188-11-3.
What is the molecular formula of (2-Acetylphenyl) 4-methylbenzenesulfonate?
The molecular formula of (2-Acetylphenyl) 4-methylbenzenesulfonate is C15H14O4S.
What is the molecular weight of (2-Acetylphenyl) 4-methylbenzenesulfonate?
The molecular weight of (2-Acetylphenyl) 4-methylbenzenesulfonate is 290.06 g/mol.
Where can I buy (2-Acetylphenyl) 4-methylbenzenesulfonate?
You can request a quote for (2-Acetylphenyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Acetylphenyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetylphenyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.