3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
TL;DR: 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione (CAS 91092-92-1) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate
Also Known As: 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione, Methyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate, Methyl 1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, 3-Carbomethoxy-1,2,3,4-tetrahydro-isoquinoline-1,4-dione, 3-Carbomethoxy-1?2?3?4-tetrahydroisoquinoline-1?4-dione
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 0.1543 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 480.62784 |
Chemical Identifiers
| CAS Number | 91092-92-1 |
|---|---|
| SMILES | COC(=O)C1C(=O)C2=CC=CC=C2C(=O)N1 |
Product Overview
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione (CAS 91092-92-1), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: methyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate.
Chemical Property Profile of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
Property Insights of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
The XLogP value of 0.1543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione. Following Lipinski's Rule of Five, 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione 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 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione?
The CAS number of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione is 91092-92-1.
What is the molecular formula of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione?
The molecular formula of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione is C11H9NO4.
What is the molecular weight of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione?
The molecular weight of 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione is 219.05 g/mol.
Where can I buy 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione?
You can request a quote for 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.