![2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile structure](/static/products/866/866019-60-5.png)
2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile
TL;DR: 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile (CAS 866019-60-5) is a chemical compound with molecular formula C22H13ClN2O4S and molecular weight 436.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile
Also Known As: 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile, 2-benzo[1,3]dioxol-5-yl-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile, (Z)-2-(1,3-benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-propenenitrile
| Molecular Formula | C22H13ClN2O4S |
|---|---|
| Molecular Weight | 436.03 g/mol |
| LogP | 6.19228 |
| Topological Polar Surface Area | 85.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.02844 |
| Heavy Atoms | 30 |
| Complexity | 1202.7496 |
Chemical Identifiers
| CAS Number | 866019-60-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C#N |
Product Overview
2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile (CAS 866019-60-5), with molecular formula C22H13ClN2O4S and molecular weight 436.03 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile
Property Insights of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile
The XLogP value of 6.19228 indicates that 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile 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-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile?
The CAS number of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile is 866019-60-5.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile is C22H13ClN2O4S.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile is 436.03 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]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-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.