4-乙酰苯基甲磺酸酯
TL;DR: 4-乙酰苯基甲磺酸酯 (CAS 85414-47-7) is a chemical compound with molecular formula C9H10O4S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酰苯基甲磺酸酯
(4-acetylphenyl) methanesulfonate
Also Known As: 4-Acetylphenyl methanesulfonate, (4-acetylphenyl) methanesulfonate, 4-acetylphenyl methylsulfonate, p-Methylsulfonyloxyacetophenone, p-Acetylphenyl methanesulfonate
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.02998 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 85414-47-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C |
| InChIKey | FRUBCADIVWBPBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙酰苯基甲磺酸酯 (CAS 85414-47-7), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: (4-acetylphenyl) methanesulfonate.
Chemical Property Profile of 4-乙酰苯基甲磺酸酯
Property Insights of 4-乙酰苯基甲磺酸酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酰苯基甲磺酸酯. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-乙酰苯基甲磺酸酯. Following Lipinski's Rule of Five, 4-乙酰苯基甲磺酸酯 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-乙酰苯基甲磺酸酯?
The CAS number of 4-乙酰苯基甲磺酸酯 is 85414-47-7.
What is the molecular formula of 4-乙酰苯基甲磺酸酯?
The molecular formula of 4-乙酰苯基甲磺酸酯 is C9H10O4S.
What is the molecular weight of 4-乙酰苯基甲磺酸酯?
The molecular weight of 4-乙酰苯基甲磺酸酯 is 214.03 g/mol.
Where can I buy 4-乙酰苯基甲磺酸酯?
You can request a quote for 4-乙酰苯基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙酰苯基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酰苯基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.