2-氯-4-硝基苯-1-磺酰氟
TL;DR: 2-氯-4-硝基苯-1-磺酰氟 (CAS 500585-95-5) is a chemical compound with molecular formula C6H3ClFNO4S and molecular weight 238.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-4-硝基苯-1-磺酰氟
2-chloro-4-nitrobenzenesulfonyl fluoride
Also Known As: 2-Chloro-4-nitrobenzene-1-sulfonyl fluoride, 2-chloro-4-nitrobenzenesulfonyl fluoride, 2-Chloro-4-nitrobenzene-1-sulfonylfluoride
| Molecular Formula | C6H3ClFNO4S |
|---|---|
| Molecular Weight | 238.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.94554 |
| Heavy Atoms | 14 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 500585-95-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)S(=O)(=O)F |
| InChIKey | DWBOTHFCTNCQIJ-UHFFFAOYSA-N |
Product Overview
2-氯-4-硝基苯-1-磺酰氟 (CAS 500585-95-5), with molecular formula C6H3ClFNO4S and molecular weight 238.95 g/mol. IUPAC: 2-chloro-4-nitrobenzenesulfonyl fluoride.
Chemical Property Profile of 2-氯-4-硝基苯-1-磺酰氟
Property Insights of 2-氯-4-硝基苯-1-磺酰氟
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-4-硝基苯-1-磺酰氟. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-4-硝基苯-1-磺酰氟. Following Lipinski's Rule of Five, 2-氯-4-硝基苯-1-磺酰氟 has 0 hydrogen bond donor(s) and 5 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-氯-4-硝基苯-1-磺酰氟?
The CAS number of 2-氯-4-硝基苯-1-磺酰氟 is 500585-95-5.
What is the molecular formula of 2-氯-4-硝基苯-1-磺酰氟?
The molecular formula of 2-氯-4-硝基苯-1-磺酰氟 is C6H3ClFNO4S.
What is the molecular weight of 2-氯-4-硝基苯-1-磺酰氟?
The molecular weight of 2-氯-4-硝基苯-1-磺酰氟 is 238.95 g/mol.
Where can I buy 2-氯-4-硝基苯-1-磺酰氟?
You can request a quote for 2-氯-4-硝基苯-1-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 2-氯-4-硝基苯-1-磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-4-硝基苯-1-磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.