2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate
TL;DR: 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate (CAS 23379-10-4) is a chemical compound with molecular formula C13H7ClF2O4S and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluoro-4-fluorosulfonylphenyl) 2-chlorobenzoate
Also Known As: NCIStruc1_001928, NCIStruc2_001398, NCI60_001704, 2-fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate, (2-fluoro-4-fluorosulfonylphenyl) 2-chlorobenzoate
| Molecular Formula | C13H7ClF2O4S |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.97217 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 23379-10-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)S(=O)(=O)F)F)Cl |
| InChIKey | DPOWUNNQCFYECG-UHFFFAOYSA-N |
Product Overview
2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate (CAS 23379-10-4), with molecular formula C13H7ClF2O4S and molecular weight 331.97 g/mol. IUPAC: (2-fluoro-4-fluorosulfonylphenyl) 2-chlorobenzoate.
Chemical Property Profile of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate
Property Insights of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate
The XLogP value of 4.2 indicates that 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate 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 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate?
The CAS number of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate is 23379-10-4.
What is the molecular formula of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate?
The molecular formula of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate is C13H7ClF2O4S.
What is the molecular weight of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate?
The molecular weight of 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate is 331.97 g/mol.
Where can I buy 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate?
You can request a quote for 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.