2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
TL;DR: 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 329269-38-7) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(2-chlorophenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione
Also Known As: 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione, (4E)-2-(2-chlorophenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione, 978-417-0, RefChem:453695
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.9044 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 813.41895 |
Chemical Identifiers
| CAS Number | 329269-38-7 |
|---|---|
| SMILES | CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3Cl |
Product Overview
2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 329269-38-7), with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol. IUPAC: (4E)-2-(2-chlorophenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione.
Chemical Property Profile of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
Property Insights of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
The XLogP value of 3.9044 indicates that 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione has 0 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 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The CAS number of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione is 329269-38-7.
What is the molecular formula of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The molecular formula of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione is C18H14ClNO3.
What is the molecular weight of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The molecular weight of 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione is 327.07 g/mol.
Where can I buy 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
You can request a quote for 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chlorophenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.