![11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one structure](/static/products/6851/685106-53-0.webp)
11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
TL;DR: 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one (CAS 685106-53-0) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one
Also Known As: 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one, 2-amino-10,11-dimethoxy-7,8,12b,13-tetrahydro-5H-1,3,6-triazatetraphen-5-one, 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one, 2-amino-10,11-dimethoxy-7,8,12b,13-tetrahydro-1,3,6-triazatetraphen-5-one
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.3717 |
| Topological Polar Surface Area | 90.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 836.8256 |
Chemical Identifiers
| CAS Number | 685106-53-0 |
|---|---|
| SMILES | COC1=C(C=C2C3CC4=NC(=NC=C4C(=O)N3CCC2=C1)N)OC |
Product Overview
11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one (CAS 685106-53-0), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one.
Chemical Property Profile of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
Property Insights of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
The XLogP value of 1.3717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one. The TPSA of 90.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one. Following Lipinski's Rule of Five, 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one has 1 hydrogen bond donor(s) and 6 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 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one?
The CAS number of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one is 685106-53-0.
What is the molecular formula of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one?
The molecular formula of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one is C17H18N4O3.
What is the molecular weight of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one?
The molecular weight of 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one is 326.14 g/mol.
Where can I buy 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one?
You can request a quote for 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.