4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate
TL;DR: 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate (CAS 428458-50-8) 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.
(4-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate
Also Known As: BAS 01549627, 4-acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate, AB00107104-01, (4-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate, 4-(acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
| 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 | 818.2609 |
Chemical Identifiers
| CAS Number | 428458-50-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)Br)OC |
Product Overview
4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate (CAS 428458-50-8), with molecular formula C15H14BrNO5S and molecular weight 398.98 g/mol. IUPAC: (4-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate.
Chemical Property Profile of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate
Property Insights of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate
The XLogP value of 3.1838 indicates that 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate 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 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate 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 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate?
The CAS number of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate is 428458-50-8.
What is the molecular formula of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate?
The molecular formula of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate is C15H14BrNO5S.
What is the molecular weight of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate?
The molecular weight of 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate is 398.98 g/mol.
Where can I buy 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate?
You can request a quote for 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.