4-Acetylphenyl benzenesulfonate
TL;DR: 4-Acetylphenyl benzenesulfonate (CAS 64101-94-6) 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-acetylphenyl) benzenesulfonate
Also Known As: 4-acetylphenyl benzenesulfonate, (4-acetylphenyl) benzenesulfonate, Benzenesulfonic acid 4-acetylphenyl ester, Ethanone, 1-[4-[(phenylsulfonyl)oxy]phenyl]-, Benzenesulfonic acid (4-acetylphenyl) ester
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.6569 |
| 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 | 673.1457 |
Chemical Identifiers
| CAS Number | 64101-94-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-Acetylphenyl benzenesulfonate (CAS 64101-94-6), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: (4-acetylphenyl) benzenesulfonate.
Chemical Property Profile of 4-Acetylphenyl benzenesulfonate
Property Insights of 4-Acetylphenyl benzenesulfonate
The XLogP value of 2.6569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl benzenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl benzenesulfonate. Following Lipinski's Rule of Five, 4-Acetylphenyl 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
Frequently Asked Questions
What is the CAS number of 4-Acetylphenyl benzenesulfonate?
The CAS number of 4-Acetylphenyl benzenesulfonate is 64101-94-6.
What is the molecular formula of 4-Acetylphenyl benzenesulfonate?
The molecular formula of 4-Acetylphenyl benzenesulfonate is C14H12O4S.
What is the molecular weight of 4-Acetylphenyl benzenesulfonate?
The molecular weight of 4-Acetylphenyl benzenesulfonate is 276.05 g/mol.
Where can I buy 4-Acetylphenyl benzenesulfonate?
You can request a quote for 4-Acetylphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.