2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate
TL;DR: 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate (CAS 432006-04-7) is a chemical compound with molecular formula C15H12BrClO5S and molecular weight 417.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-6-ethoxy-4-formylphenyl) 4-chlorobenzenesulfonate
Also Known As: 2-bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate, (2-bromo-6-ethoxy-4-formylphenyl) 4-chlorobenzenesulfonate, 2-bromo-6-ethoxy-4-formylphenyl 4-chlorobenzene-1-sulfonate, AN-698/40847933, (2-bromo-6-ethoxy-4-formyl-phenyl) 4-chlorobenzenesulfonate
| Molecular Formula | C15H12BrClO5S |
|---|---|
| Molecular Weight | 417.93 g/mol |
| LogP | 4.0814 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.92773 |
| Heavy Atoms | 23 |
| Complexity | 818.50604 |
Chemical Identifiers
| CAS Number | 432006-04-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate (CAS 432006-04-7), with molecular formula C15H12BrClO5S and molecular weight 417.93 g/mol. IUPAC: (2-bromo-6-ethoxy-4-formylphenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate
Property Insights of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate
The XLogP value of 4.0814 indicates that 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate has 0 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-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate?
The CAS number of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate is 432006-04-7.
What is the molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate?
The molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate is C15H12BrClO5S.
What is the molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate?
The molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate is 417.93 g/mol.
Where can I buy 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate?
You can request a quote for 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.