2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
TL;DR: 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile (CAS 866019-42-3) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
Also Known As: (Z)-2-(3,4-dimethoxyphenyl)-3-(4-morpholino-3-nitrophenyl)-2-propenenitrile, 2-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 3.51278 |
| Topological Polar Surface Area | 97.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 974.7672 |
Chemical Identifiers
| CAS Number | 866019-42-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C#N)OC |
Product Overview
2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile (CAS 866019-42-3), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
Property Insights of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.51278 indicates that 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile 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 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile?
The CAS number of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile is 866019-42-3.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile is C21H21N3O5.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile is 395.15 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-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-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.