2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione
TL;DR: 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 22177-46-4) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4H-isoquinoline-1,3-dione
Also Known As: ATHQD, 2-Aminoisoquinoline-1,3(2H,4H)-dione, 2-Amino-4H-isoquinoline-1,3-dione, 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 1,3(2H,4H)-Isoquinolinedione,2-amino-
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 22177-46-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)N |
| InChIKey | LBNIVJQTSUZBGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 22177-46-4), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 2-amino-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione
Property Insights of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-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 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The CAS number of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione is 22177-46-4.
What is the molecular formula of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The molecular formula of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione is C9H8N2O2.
What is the molecular weight of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
The molecular weight of 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione is 176.06 g/mol.
Where can I buy 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
You can request a quote for 2-Amino-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-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.