4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione
TL;DR: 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione (CAS 18630-93-8) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(ethoxymethylidene)isoquinoline-1,3-dione
Also Known As: 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione, 1,3(2H,4H)-Isoquinolinedione,4-(ethoxymethylene)-, 4-ethoxymethylene-4H-isoquinoline-1,3-dione, (4Z)-4-(ethoxymethylidene)isoquinoline-1,3-dione, (4Z)-4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.334 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 476.90714 |
Chemical Identifiers
| CAS Number | 18630-93-8 |
|---|---|
| SMILES | CCO/C=C\1/C2=CC=CC=C2C(=O)NC1=O |
Product Overview
4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione (CAS 18630-93-8), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: (4Z)-4-(ethoxymethylidene)isoquinoline-1,3-dione.
Chemical Property Profile of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione
Property Insights of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 1.334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione 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-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione?
The CAS number of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione is 18630-93-8.
What is the molecular formula of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione is C12H11NO3.
What is the molecular weight of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione is 217.07 g/mol.
Where can I buy 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.