2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate
TL;DR: 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate (CAS 313402-84-5) is a chemical compound with molecular formula C15H14BrNO4S and molecular weight 382.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamidophenyl) 5-bromo-2-methylbenzenesulfonate
Also Known As: 2-(acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate, 2-acetamidophenyl 5-bromo-2-methylbenzenesulfonate, (2-acetamidophenyl) 5-bromo-2-methylbenzenesulfonate, 2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate, F0376-0038
| Molecular Formula | C15H14BrNO4S |
|---|---|
| Molecular Weight | 382.98 g/mol |
| LogP | 3.48362 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.9827 |
| Heavy Atoms | 22 |
| Complexity | 818.0422 |
Chemical Identifiers
| CAS Number | 313402-84-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC=C2NC(=O)C |
Product Overview
2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate (CAS 313402-84-5), with molecular formula C15H14BrNO4S and molecular weight 382.98 g/mol. IUPAC: (2-acetamidophenyl) 5-bromo-2-methylbenzenesulfonate.
Chemical Property Profile of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate
Property Insights of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate
The XLogP value of 3.48362 indicates that 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate 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 5-bromo-2-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate 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 5-bromo-2-methylbenzenesulfonate?
The CAS number of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate is 313402-84-5.
What is the molecular formula of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate?
The molecular formula of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate is C15H14BrNO4S.
What is the molecular weight of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate?
The molecular weight of 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate is 382.98 g/mol.
Where can I buy 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate?
You can request a quote for 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate 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-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)phenyl 5-bromo-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.