4-Bromo-2-formylphenyl benzenesulfonate
TL;DR: 4-Bromo-2-formylphenyl benzenesulfonate (CAS 443664-22-0) is a chemical compound with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-formylphenyl) benzenesulfonate
Also Known As: 4-bromo-2-formylphenyl benzenesulfonate, starbld0038628, (4-bromo-2-formylphenyl) benzenesulfonate, (4-bromo-2-formyl-phenyl) benzenesulfonate, 4-BROMO-2-FORMYLPHENYL 1-BENZENESULFONATE
| Molecular Formula | C13H9BrO4S |
|---|---|
| Molecular Weight | 339.94 g/mol |
| LogP | 3.0293 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.9405 |
| Heavy Atoms | 19 |
| Complexity | 695.8381 |
Chemical Identifiers
| CAS Number | 443664-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=O |
Product Overview
4-Bromo-2-formylphenyl benzenesulfonate (CAS 443664-22-0), with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol. IUPAC: (4-bromo-2-formylphenyl) benzenesulfonate.
Chemical Property Profile of 4-Bromo-2-formylphenyl benzenesulfonate
Property Insights of 4-Bromo-2-formylphenyl benzenesulfonate
The XLogP value of 3.0293 indicates that 4-Bromo-2-formylphenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-formylphenyl benzenesulfonate. Following Lipinski's Rule of Five, 4-Bromo-2-formylphenyl benzenesulfonate has 0 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 4-Bromo-2-formylphenyl benzenesulfonate?
The CAS number of 4-Bromo-2-formylphenyl benzenesulfonate is 443664-22-0.
What is the molecular formula of 4-Bromo-2-formylphenyl benzenesulfonate?
The molecular formula of 4-Bromo-2-formylphenyl benzenesulfonate is C13H9BrO4S.
What is the molecular weight of 4-Bromo-2-formylphenyl benzenesulfonate?
The molecular weight of 4-Bromo-2-formylphenyl benzenesulfonate is 339.94 g/mol.
Where can I buy 4-Bromo-2-formylphenyl benzenesulfonate?
You can request a quote for 4-Bromo-2-formylphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-formylphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-formylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.