(E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile
TL;DR: (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile (CAS 487031-81-2) is a chemical compound with molecular formula C27H19BrN2O4 and molecular weight 514.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile, (E)-3-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C27H19BrN2O4 |
|---|---|
| Molecular Weight | 514.05 g/mol |
| LogP | 7.16228 |
| Topological Polar Surface Area | 85.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.0528 |
| Heavy Atoms | 34 |
| Complexity | 1434.4817 |
Chemical Identifiers
| CAS Number | 487031-81-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-])Br)OCC3=CC=CC4=CC=CC=C43 |
Product Overview
(E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile (CAS 487031-81-2), with molecular formula C27H19BrN2O4 and molecular weight 514.05 g/mol. IUPAC: (E)-3-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile
Property Insights of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile
The XLogP value of 7.16228 indicates that (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile 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 (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile?
The CAS number of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile is 487031-81-2.
What is the molecular formula of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile?
The molecular formula of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile is C27H19BrN2O4.
What is the molecular weight of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile?
The molecular weight of (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile is 514.05 g/mol.
Where can I buy (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile?
You can request a quote for (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl)-2-(4-nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.