![(E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile structure](/static/products/929/929982-16-1.png)
(E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile
TL;DR: (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile (CAS 929982-16-1) is a chemical compound with molecular formula C16H9ClN2O6S and molecular weight 391.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Also Known As: (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile, 2-(4-chlorophenyl)sulfonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile, 2-(4-chlorobenzenesulfonyl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-(6-nitrobenzo[1,3]dioxol-5-yl)prop-2-enenitrile, 2-((4-CHLOROPHENYL)SULFONYL)-3-(6-NITROBENZO[3,4-D]1,3-DIOXOLEN-5-YL)PROP-2-ENENITRILE
| Molecular Formula | C16H9ClN2O6S |
|---|---|
| Molecular Weight | 391.99 g/mol |
| LogP | 3.31528 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.987 |
| Heavy Atoms | 26 |
| Complexity | 1071.1542 |
Chemical Identifiers
| CAS Number | 929982-16-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
(E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile (CAS 929982-16-1), with molecular formula C16H9ClN2O6S and molecular weight 391.99 g/mol. IUPAC: 2-(4-chlorophenyl)sulfonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile
Property Insights of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile
The XLogP value of 3.31528 indicates that (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile. Following Lipinski's Rule of Five, (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile has 0 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 (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile?
The CAS number of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile is 929982-16-1.
What is the molecular formula of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile?
The molecular formula of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile is C16H9ClN2O6S.
What is the molecular weight of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile?
The molecular weight of (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile is 391.99 g/mol.
Where can I buy (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile?
You can request a quote for (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.