2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate
TL;DR: 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate (CAS 432006-20-7) is a chemical compound with molecular formula C15H12BrNO5S and molecular weight 396.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-formylphenyl) 4-acetamidobenzenesulfonate
Also Known As: 2-bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate, (2-bromo-4-formylphenyl) 4-acetamidobenzenesulfonate, 2-bromo-4-formylphenyl 4-acetamidobenzene-1-sulfonate, 2-BROMO-4-FORMYLPHENYL 4-ACETAMIDOBENZENESULFONATE, AN-698/40847889
| Molecular Formula | C15H12BrNO5S |
|---|---|
| Molecular Weight | 396.96 g/mol |
| LogP | 2.9877 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.96198 |
| Heavy Atoms | 23 |
| Complexity | 846.671 |
Chemical Identifiers
| CAS Number | 432006-20-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=O)Br |
Product Overview
2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate (CAS 432006-20-7), with molecular formula C15H12BrNO5S and molecular weight 396.96 g/mol. IUPAC: (2-bromo-4-formylphenyl) 4-acetamidobenzenesulfonate.
Chemical Property Profile of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate
Property Insights of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate
The XLogP value of 2.9877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate. Following Lipinski's Rule of Five, 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate has 1 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-4-formylphenyl 4-(acetylamino)benzenesulfonate?
The CAS number of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate is 432006-20-7.
What is the molecular formula of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate?
The molecular formula of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate is C15H12BrNO5S.
What is the molecular weight of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate?
The molecular weight of 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate is 396.96 g/mol.
Where can I buy 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate?
You can request a quote for 2-Bromo-4-formylphenyl 4-(acetylamino)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-4-formylphenyl 4-(acetylamino)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-formylphenyl 4-(acetylamino)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.