![(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide structure](/static/products/5685/568554-22-3.webp)
(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
TL;DR: (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CAS 568554-22-3) is a chemical compound with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
Also Known As: (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide, 3-(1,3-dioxaindan-5-yl)-2-cyano-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
| Molecular Formula | C21H15N5O5S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 2.55178 |
| Topological Polar Surface Area | 143.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.07938 |
| Heavy Atoms | 32 |
| Complexity | 1333.2434 |
Chemical Identifiers
| CAS Number | 568554-22-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 |
Product Overview
(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CAS 568554-22-3), with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.
Chemical Property Profile of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
Property Insights of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
The XLogP value of 2.55178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide. The TPSA of 143.3 Ų indicates high polarity, suggesting (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide has 2 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 (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The CAS number of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is 568554-22-3.
What is the molecular formula of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The molecular formula of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is C21H15N5O5S.
What is the molecular weight of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The molecular weight of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is 449.08 g/mol.
Where can I buy (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
You can request a quote for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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 (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.