![4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone structure](/static/products/5401/5401-25-2.webp)
4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
TL;DR: 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone (CAS 5401-25-2) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone, 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one, 4-[(E)-3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one, 4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-2,5,6,7,8-pentahydroisoquino lin-3-one, 4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.46682 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 861.67303 |
Chemical Identifiers
| CAS Number | 5401-25-2 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=O)N1)C(=O)/C=C/C3=CC=CC=C3OC |
Product Overview
4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone (CAS 5401-25-2), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
Chemical Property Profile of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
Property Insights of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
The XLogP value of 3.46682 indicates that 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone has 1 hydrogen bond donor(s) and 3 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 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone?
The CAS number of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone is 5401-25-2.
What is the molecular formula of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone?
The molecular formula of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone is C20H21NO3.
What is the molecular weight of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone?
The molecular weight of 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone is 323.15 g/mol.
Where can I buy 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone?
You can request a quote for 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.