2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile
TL;DR: 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile (CAS 1025255-71-3) is a chemical compound with molecular formula C20H14BrNO4S and molecular weight 442.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxochromen-3-yl)prop-2-enenitrile
Also Known As: 2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile, 3-(5,7-DIMETHYL-4-OXO(4H-CHROMEN-3-YL))-2-((4-BROMOPHENYL)SULFONYL)PROP-2-ENENITRILE, (E)-2-[(4-bromophenyl)sulfonyl]-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-2-propenenitrile, 2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxochromen-3-yl)prop-2-enenitrile, C20H14BrNO4S
| Molecular Formula | C20H14BrNO4S |
|---|---|
| Molecular Weight | 442.98 g/mol |
| LogP | 4.51072 |
| Topological Polar Surface Area | 88.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.9827 |
| Heavy Atoms | 27 |
| Complexity | 1280.5367 |
Chemical Identifiers
| CAS Number | 1025255-71-3 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br)C |
Product Overview
2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile (CAS 1025255-71-3), with molecular formula C20H14BrNO4S and molecular weight 442.98 g/mol. IUPAC: 2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxochromen-3-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile
Property Insights of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile
The XLogP value of 4.51072 indicates that 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile 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-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile?
The CAS number of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile is 1025255-71-3.
What is the molecular formula of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile?
The molecular formula of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile is C20H14BrNO4S.
What is the molecular weight of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile?
The molecular weight of 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile is 442.98 g/mol.
Where can I buy 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile?
You can request a quote for 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.