2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate
TL;DR: 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate (CAS 457961-22-7) is a chemical compound with molecular formula C14H11Br2NO4S and molecular weight 446.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamidophenyl) 2,5-dibromobenzenesulfonate
Also Known As: 2-(acetylamino)phenyl 2,5-dibromobenzenesulfonate, (2-acetamidophenyl) 2,5-dibromobenzenesulfonate, BAS 02106680, AP-263/40720502, 2,5-Dibromo-benzenesulfonic acid 2-acetylamino-phenyl ester
| Molecular Formula | C14H11Br2NO4S |
|---|---|
| Molecular Weight | 446.88 g/mol |
| LogP | 3.9377 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.87756 |
| Heavy Atoms | 22 |
| Complexity | 821.3426 |
Chemical Identifiers
| CAS Number | 457961-22-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)Br)Br |
Product Overview
2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate (CAS 457961-22-7), with molecular formula C14H11Br2NO4S and molecular weight 446.88 g/mol. IUPAC: (2-acetamidophenyl) 2,5-dibromobenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate
Property Insights of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate
The XLogP value of 3.9377 indicates that 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate 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)phenyl 2,5-dibromobenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate 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)phenyl 2,5-dibromobenzenesulfonate?
The CAS number of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate is 457961-22-7.
What is the molecular formula of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate?
The molecular formula of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate is C14H11Br2NO4S.
What is the molecular weight of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate?
The molecular weight of 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate is 446.88 g/mol.
Where can I buy 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate?
You can request a quote for 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)phenyl 2,5-dibromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.