![3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide structure](/static/products/116/1164539-52-9.png)
3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
TL;DR: 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (CAS 1164539-52-9) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide
Also Known As: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide, 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
| Molecular Formula | C27H26N2O4 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 4.54868 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.18927 |
| Heavy Atoms | 33 |
| Complexity | 1150.283 |
Chemical Identifiers
| CAS Number | 1164539-52-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C#N)OC |
Product Overview
3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (CAS 1164539-52-9), with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol. IUPAC: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide.
Chemical Property Profile of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
Property Insights of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
The XLogP value of 4.54868 indicates that 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide. Following Lipinski's Rule of Five, 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide has 1 hydrogen bond donor(s) and 5 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 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The CAS number of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is 1164539-52-9.
What is the molecular formula of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The molecular formula of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is C27H26N2O4.
What is the molecular weight of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The molecular weight of 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is 442.19 g/mol.
Where can I buy 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
You can request a quote for 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(benzyloxy)phenyl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.