2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate
TL;DR: 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate (CAS 431998-72-0) is a chemical compound with molecular formula C15H13BrO5S and molecular weight 383.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-6-ethoxy-4-formylphenyl) benzenesulfonate
Also Known As: 2-bromo-6-ethoxy-4-formylphenyl benzenesulfonate, (2-bromo-6-ethoxy-4-formylphenyl) benzenesulfonate, 2-bromo-6-ethoxy-4-formylphenyl 1-benzenesulfonate, (2-bromo-6-ethoxy-4-formyl-phenyl) benzenesulfonate, A3064/0129493
| Molecular Formula | C15H13BrO5S |
|---|---|
| Molecular Weight | 383.97 g/mol |
| LogP | 3.428 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.9667 |
| Heavy Atoms | 22 |
| Complexity | 772.01984 |
Chemical Identifiers
| CAS Number | 431998-72-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate (CAS 431998-72-0), with molecular formula C15H13BrO5S and molecular weight 383.97 g/mol. IUPAC: (2-bromo-6-ethoxy-4-formylphenyl) benzenesulfonate.
Chemical Property Profile of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate
Property Insights of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate
The XLogP value of 3.428 indicates that 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate 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 benzenesulfonate. Following Lipinski's Rule of Five, 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate 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 benzenesulfonate?
The CAS number of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate is 431998-72-0.
What is the molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate?
The molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate is C15H13BrO5S.
What is the molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate?
The molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate is 383.97 g/mol.
Where can I buy 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate?
You can request a quote for 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate 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 benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.