![6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione structure](/static/products/831/831238-39-2.png)
6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
TL;DR: 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CAS 831238-39-2) is a chemical compound with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione, 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
| Molecular Formula | C21H18N4O4 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 2.6622 |
| Topological Polar Surface Area | 92.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1328 |
| Heavy Atoms | 29 |
| Complexity | 1363.448 |
Chemical Identifiers
| CAS Number | 831238-39-2 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CAS 831238-39-2), with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol. IUPAC: 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Property Insights of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
The XLogP value of 2.6622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione. The TPSA of 92.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione 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 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The CAS number of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is 831238-39-2.
What is the molecular formula of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular formula of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is C21H18N4O4.
What is the molecular weight of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular weight of 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is 390.13 g/mol.
Where can I buy 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
You can request a quote for 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.