![2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate structure](/static/products/6533/6533-72-8.webp)
2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate
TL;DR: 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate (CAS 6533-72-8) is a chemical compound with molecular formula C28H18BrNO5S and molecular weight 559.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-bromobenzoate
Also Known As: 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate, [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-bromobenzoate, [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 4-bromobenzoate
| Molecular Formula | C28H18BrNO5S |
|---|---|
| Molecular Weight | 559.01 g/mol |
| LogP | 7.5581 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 559.0089 |
| Heavy Atoms | 36 |
| Complexity | 1438.0293 |
Chemical Identifiers
| CAS Number | 6533-72-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Br |
Product Overview
2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate (CAS 6533-72-8), with molecular formula C28H18BrNO5S and molecular weight 559.01 g/mol. IUPAC: [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-bromobenzoate.
Chemical Property Profile of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate
Property Insights of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate
The XLogP value of 7.5581 indicates that 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate. Following Lipinski's Rule of Five, 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate?
The CAS number of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate is 6533-72-8.
What is the molecular formula of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate?
The molecular formula of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate is C28H18BrNO5S.
What is the molecular weight of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate?
The molecular weight of 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate is 559.01 g/mol.
Where can I buy 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate?
You can request a quote for 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Nitrophenyl)sulfanyl]-3-oxo-1,3-diphenylprop-1-en-1-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.