Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-
TL;DR: Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- (CAS 120538-01-4) is a chemical compound with molecular formula C17H15N5O3 and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione
Also Known As: Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-, 1,3-Dimethyl-9-(phenylmethyl)pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 9-benzyl-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione, 1,3-Dimethyl-9-benzylpyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione, 9-Benzyl-1,3-dimethylpyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
| Molecular Formula | C17H15N5O3 |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 0.0949 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1175 |
| Heavy Atoms | 25 |
| Complexity | 1291.8408 |
Chemical Identifiers
| CAS Number | 120538-01-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC4=CC=CC=C4 |
Product Overview
Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- (CAS 120538-01-4), with molecular formula C17H15N5O3 and molecular weight 337.12 g/mol. IUPAC: 9-benzyl-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione.
Chemical Property Profile of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-
Property Insights of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-
The XLogP value of 0.0949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-. Following Lipinski's Rule of Five, Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- has 0 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 Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-?
The CAS number of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- is 120538-01-4.
What is the molecular formula of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-?
The molecular formula of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- is C17H15N5O3.
What is the molecular weight of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-?
The molecular weight of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- is 337.12 g/mol.
Where can I buy Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-?
You can request a quote for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.