![6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione structure](/static/products/898/898922-06-0.png)
6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 898922-06-0) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(4,8-dioxa-16-azatetracyclo[9.7.0.03,9.012,16]octadeca-1,3(9),10,12,14-pentaen-14-yl)-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione, 6-amino-1,3-dimethyl-5-(6,9,10,11-tetrahydro-5H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 1.5191 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 1265.1514 |
Chemical Identifiers
| CAS Number | 898922-06-0 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C2=CN3CCC4=CC5=C(C=C4C3=C2)OCCCO5)N |
Product Overview
6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 898922-06-0), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: 6-amino-5-(4,8-dioxa-16-azatetracyclo[9.7.0.03,9.012,16]octadeca-1,3(9),10,12,14-pentaen-14-yl)-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.5191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 5 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 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione is 898922-06-0.
What is the molecular formula of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione is C21H22N4O4.
What is the molecular weight of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione is 394.16 g/mol.
Where can I buy 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1,3-dimethyl-5-(5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinolin-2-yl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.