![9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one structure](/static/products/896/896812-25-2.png)
9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
TL;DR: 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 896812-25-2) is a chemical compound with molecular formula C16H16N6O3 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one, 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
| Molecular Formula | C16H16N6O3 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 1.3453 |
| Topological Polar Surface Area | 106.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.1284 |
| Heavy Atoms | 25 |
| Complexity | 980.2754 |
Chemical Identifiers
| CAS Number | 896812-25-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=NC=NN4)OC |
Product Overview
9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 896812-25-2), with molecular formula C16H16N6O3 and molecular weight 340.13 g/mol. IUPAC: 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Property Insights of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
The XLogP value of 1.3453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one. The TPSA of 106.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one. Following Lipinski's Rule of Five, 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one has 2 hydrogen bond donor(s) and 7 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 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The CAS number of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 896812-25-2.
What is the molecular formula of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular formula of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is C16H16N6O3.
What is the molecular weight of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular weight of 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 340.13 g/mol.
Where can I buy 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
You can request a quote for 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9,10-dimethoxy-2-(1H-1,2,4-triazol-5-ylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.