![(E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide structure](/static/products/6094/6094-35-5.webp)
(E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide
TL;DR: (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide (CAS 6094-35-5) is a chemical compound with molecular formula C17H12BrN3O7S and molecular weight 480.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-bromo-6-methoxyphenyl] 4-nitrobenzenesulfonate
Also Known As: (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide, [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-bromo-6-methoxyphenyl] 4-nitrobenzenesulfonate
| Molecular Formula | C17H12BrN3O7S |
|---|---|
| Molecular Weight | 480.96 g/mol |
| LogP | 2.52588 |
| Topological Polar Surface Area | 162.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.95792 |
| Heavy Atoms | 29 |
| Complexity | 1152.7844 |
Chemical Identifiers
| CAS Number | 6094-35-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide (CAS 6094-35-5), with molecular formula C17H12BrN3O7S and molecular weight 480.96 g/mol. IUPAC: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-bromo-6-methoxyphenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide
Property Insights of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide
The XLogP value of 2.52588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide. The TPSA of 162.62 Ų indicates high polarity, suggesting (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide has 1 hydrogen bond donor(s) and 8 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 (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide?
The CAS number of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide is 6094-35-5.
What is the molecular formula of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide?
The molecular formula of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide is C17H12BrN3O7S.
What is the molecular weight of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide?
The molecular weight of (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide is 480.96 g/mol.
Where can I buy (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide?
You can request a quote for (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[3-bromo-5-methoxy-4-(4-nitrophenyl)sulfonyloxy-phenyl]-2-cyano-prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.