![3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile structure](/static/products/102/1025703-40-5.png)
3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile
TL;DR: 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile (CAS 1025703-40-5) is a chemical compound with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile
Also Known As: 3-((6-ACETYLBENZO[3,4-D]1,3-DIOXOLAN-5-YL)AMINO)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE, 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile, 3-[(6-acetylbenzo[1,3]dioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile
| Molecular Formula | C18H14N2O5S |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 2.86868 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.06235 |
| Heavy Atoms | 26 |
| Complexity | 1037.2415 |
Chemical Identifiers
| CAS Number | 1025703-40-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC=C(C#N)S(=O)(=O)C3=CC=CC=C3)OCO2 |
Product Overview
3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile (CAS 1025703-40-5), with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol. IUPAC: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile.
Chemical Property Profile of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile
Property Insights of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile
The XLogP value of 2.86868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 7 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 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile?
The CAS number of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile is 1025703-40-5.
What is the molecular formula of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile?
The molecular formula of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile is C18H14N2O5S.
What is the molecular weight of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile?
The molecular weight of 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile is 370.06 g/mol.
Where can I buy 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile?
You can request a quote for 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)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 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-2-(benzenesulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.