2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
TL;DR: 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate (CAS 428459-52-3) is a chemical compound with molecular formula C15H14BrNO5S and molecular weight 398.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate
Also Known As: 2-(acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate, BAS 01549629, (2-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate, AB00107124-01, AP-263/14196372
| Molecular Formula | C15H14BrNO5S |
|---|---|
| Molecular Weight | 398.98 g/mol |
| LogP | 3.1838 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.9776 |
| Heavy Atoms | 23 |
| Complexity | 835.5109 |
Chemical Identifiers
| CAS Number | 428459-52-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)Br)OC |
Product Overview
2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate (CAS 428459-52-3), with molecular formula C15H14BrNO5S and molecular weight 398.98 g/mol. IUPAC: (2-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
Property Insights of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
The XLogP value of 3.1838 indicates that 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate has 1 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-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate?
The CAS number of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate is 428459-52-3.
What is the molecular formula of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate?
The molecular formula of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate is C15H14BrNO5S.
What is the molecular weight of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate?
The molecular weight of 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate is 398.98 g/mol.
Where can I buy 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate?
You can request a quote for 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate 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 5-bromo-2-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.