![methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate structure](/static/products/3256/325693-74-1.webp)
methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate
TL;DR: methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate (CAS 325693-74-1) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoate
Also Known As: methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, BAS 03378396, J2.781.866H, methyl 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoate, F0739-0019
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 1.9989 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 715.21106 |
Chemical Identifiers
| CAS Number | 325693-74-1 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate (CAS 325693-74-1), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: methyl 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoate.
Chemical Property Profile of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate
Property Insights of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate
The XLogP value of 1.9989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate has 0 hydrogen bond donor(s) and 4 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 methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate?
The CAS number of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate is 325693-74-1.
What is the molecular formula of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate?
The molecular formula of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate is C16H13NO4.
What is the molecular weight of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate?
The molecular weight of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate is 283.08 g/mol.
Where can I buy methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate?
You can request a quote for methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.