4-氟-3-硝基苯磺酸乙酯
TL;DR: 4-氟-3-硝基苯磺酸乙酯 (CAS 7017-09-6) is a chemical compound with molecular formula C8H8FNO5S and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟-3-硝基苯磺酸乙酯
ethyl 4-fluoro-3-nitrobenzenesulfonate
Also Known As: ethyl 4-fluoro-3-nitrobenzenesulfonate, ETHYL 4-FLUORO-3-NITRO-BENZENESULFONATE, 4-ethoxysulfonyl-1-fluoro-2-nitro-benzene, Ethyl 4-fluoro-3-nitrobenzene-1-sulfonate
| Molecular Formula | C8H8FNO5S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.01073 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 7017-09-6 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| InChIKey | HWRUIKOUKIKIFH-UHFFFAOYSA-N |
Product Overview
4-氟-3-硝基苯磺酸乙酯 (CAS 7017-09-6), with molecular formula C8H8FNO5S and molecular weight 249.01 g/mol. IUPAC: ethyl 4-fluoro-3-nitrobenzenesulfonate.
Chemical Property Profile of 4-氟-3-硝基苯磺酸乙酯
Property Insights of 4-氟-3-硝基苯磺酸乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟-3-硝基苯磺酸乙酯. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氟-3-硝基苯磺酸乙酯. Following Lipinski's Rule of Five, 4-氟-3-硝基苯磺酸乙酯 has 0 hydrogen bond donor(s) and 6 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-氟-3-硝基苯磺酸乙酯?
The CAS number of 4-氟-3-硝基苯磺酸乙酯 is 7017-09-6.
What is the molecular formula of 4-氟-3-硝基苯磺酸乙酯?
The molecular formula of 4-氟-3-硝基苯磺酸乙酯 is C8H8FNO5S.
What is the molecular weight of 4-氟-3-硝基苯磺酸乙酯?
The molecular weight of 4-氟-3-硝基苯磺酸乙酯 is 249.01 g/mol.
Where can I buy 4-氟-3-硝基苯磺酸乙酯?
You can request a quote for 4-氟-3-硝基苯磺酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟-3-硝基苯磺酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氟-3-硝基苯磺酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.