2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate
TL;DR: 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate (CAS 23383-85-9) is a chemical compound with molecular formula C13H7ClFNO6S and molecular weight 358.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-fluorosulfonylphenyl) 4-nitrobenzoate
Also Known As: 2-chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate, (2-chloro-4-fluorosulfonylphenyl) 4-nitrobenzoate
| Molecular Formula | C13H7ClFNO6S |
|---|---|
| Molecular Weight | 358.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.96667 |
| Heavy Atoms | 23 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 23383-85-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)S(=O)(=O)F)Cl)[N+](=O)[O-] |
| InChIKey | SPFCZNZIDUTANW-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate (CAS 23383-85-9), with molecular formula C13H7ClFNO6S and molecular weight 358.97 g/mol. IUPAC: (2-chloro-4-fluorosulfonylphenyl) 4-nitrobenzoate.
Chemical Property Profile of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate
Property Insights of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate
The XLogP value of 3.6 indicates that 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate?
The CAS number of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate is 23383-85-9.
What is the molecular formula of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate?
The molecular formula of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate is C13H7ClFNO6S.
What is the molecular weight of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate?
The molecular weight of 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate is 358.97 g/mol.
Where can I buy 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate?
You can request a quote for 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(fluorosulfonyl)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.