3-乙酰苯磺酰氟
TL;DR: 3-乙酰苯磺酰氟 (CAS 709-60-4) is a chemical compound with molecular formula C8H7FO3S and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰苯磺酰氟
3-acetylbenzenesulfonyl fluoride
Also Known As: 3-Acetylbenzenesulfonyl fluoride, m-(Fluorosulfonyl)acetophenone, Acetylbenzenesulfonyl fluoride, ACBZSFFL, Benzenesulfonylfluoride, 3-acetyl-
| Molecular Formula | C8H7FO3S |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.01 |
| Heavy Atoms | 13 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 709-60-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)S(=O)(=O)F |
| InChIKey | NEVFJPDNDDMQGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙酰苯磺酰氟 (CAS 709-60-4), with molecular formula C8H7FO3S and molecular weight 202.01 g/mol. IUPAC: 3-acetylbenzenesulfonyl fluoride.
Chemical Property Profile of 3-乙酰苯磺酰氟
Property Insights of 3-乙酰苯磺酰氟
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰苯磺酰氟. With a topological polar surface area (TPSA) of 59.6 Ų, 3-乙酰苯磺酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙酰苯磺酰氟 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 3-乙酰苯磺酰氟?
The CAS number of 3-乙酰苯磺酰氟 is 709-60-4.
What is the molecular formula of 3-乙酰苯磺酰氟?
The molecular formula of 3-乙酰苯磺酰氟 is C8H7FO3S.
What is the molecular weight of 3-乙酰苯磺酰氟?
The molecular weight of 3-乙酰苯磺酰氟 is 202.01 g/mol.
Where can I buy 3-乙酰苯磺酰氟?
You can request a quote for 3-乙酰苯磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰苯磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰苯磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.