(Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile
TL;DR: (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile (CAS 952105-83-8) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile, (2Z)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile, (Z)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile, J3.161.784G, 2-(4-Nitrophenyl)-3-(dimethylamino)acrylonitrile
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.02088 |
| Topological Polar Surface Area | 70.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 455.11316 |
Chemical Identifiers
| CAS Number | 952105-83-8 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
(Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile (CAS 952105-83-8), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: (Z)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile
Property Insights of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile
The XLogP value of 2.02088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile. Following Lipinski's Rule of Five, (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile has 0 hydrogen bond donor(s) and 4 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-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile?
The CAS number of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile is 952105-83-8.
What is the molecular formula of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile?
The molecular formula of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile is C11H11N3O2.
What is the molecular weight of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile?
The molecular weight of (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile is 217.09 g/mol.
Where can I buy (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile?
You can request a quote for (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.