2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate
TL;DR: 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate (CAS 682763-03-7) is a chemical compound with molecular formula C14H11ClFNO4S and molecular weight 343.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-4-chlorophenyl) 4-fluorobenzenesulfonate
Also Known As: 2-(acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate, (2-acetamido-4-chlorophenyl) 4-fluorobenzenesulfonate, A3005/0126618, 2-(ACETYLAMINO)-4-CHLOROPHENYL 4-FLUORO-1-BENZENESULFONATE, 4-Fluorobenzenesulfonic acid, (2-acetylamino-4-chlorophenyl) ester
| Molecular Formula | C14H11ClFNO4S |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 3.2052 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.00815 |
| Heavy Atoms | 22 |
| Complexity | 806.0926 |
Chemical Identifiers
| CAS Number | 682763-03-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate (CAS 682763-03-7), with molecular formula C14H11ClFNO4S and molecular weight 343.01 g/mol. IUPAC: (2-acetamido-4-chlorophenyl) 4-fluorobenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate
Property Insights of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate
The XLogP value of 3.2052 indicates that 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate has 1 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 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate?
The CAS number of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate is 682763-03-7.
What is the molecular formula of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate?
The molecular formula of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate is C14H11ClFNO4S.
What is the molecular weight of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate?
The molecular weight of 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate is 343.01 g/mol.
Where can I buy 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate?
You can request a quote for 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-4-chlorophenyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.