2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate
TL;DR: 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate (CAS 443294-19-7) is a chemical compound with molecular formula C16H15BrO5S and molecular weight 397.98 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-methylbenzenesulfonate
Also Known As: 2-bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate, (2-bromo-6-ethoxy-4-formylphenyl) 4-methylbenzenesulfonate, 2-bromo-6-ethoxy-4-formylphenyl 4-methylbenzene-1-sulfonate, 2-bromo-6-ethoxy-4-formylphenyl 4-methyl-1-benzenesulfonate, A3052/0128922
| Molecular Formula | C16H15BrO5S |
|---|---|
| Molecular Weight | 397.98 g/mol |
| LogP | 3.73642 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.98236 |
| Heavy Atoms | 23 |
| Complexity | 813.1094 |
Chemical Identifiers
| CAS Number | 443294-19-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate (CAS 443294-19-7), with molecular formula C16H15BrO5S and molecular weight 397.98 g/mol. IUPAC: (2-bromo-6-ethoxy-4-formylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate
Property Insights of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate
The XLogP value of 3.73642 indicates that 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate 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-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate 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-methylbenzenesulfonate?
The CAS number of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate is 443294-19-7.
What is the molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate?
The molecular formula of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate is C16H15BrO5S.
What is the molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate?
The molecular weight of 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate is 397.98 g/mol.
Where can I buy 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate?
You can request a quote for 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate 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-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-ethoxy-4-formylphenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.