Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
TL;DR: Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate (CAS 63500-01-6) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
Also Known As: methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate, 2-Acetylamino-1-carbomethoxy-1,4-dihydro-3-(2H)-isochinolinon, Methyl 2-(acetylamino)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate, Methyl 2-acetamido-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 63500-01-6 |
|---|---|
| SMILES | CC(=O)NN1C(C2=CC=CC=C2CC1=O)C(=O)OC |
| InChIKey | XPKPAJXNCLKOKL-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate (CAS 63500-01-6), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate.
Chemical Property Profile of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
Property Insights of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate. Following Lipinski's Rule of Five, Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate has 1 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 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate?
The CAS number of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate is 63500-01-6.
What is the molecular formula of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate?
The molecular formula of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate is C13H14N2O4.
What is the molecular weight of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate?
The molecular weight of Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate is 262.10 g/mol.
Where can I buy Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate?
You can request a quote for Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.