A3980/0169529
TL;DR: A3980/0169529 (CAS 879456-62-9) is a chemical compound with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3980/0169529, 6-(4-ethylphenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-ethylphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-ETHYLPHENYL)-1-METHYL-4-(3-NITROPHENYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C21H20N4O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 3.1542 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.14847 |
| Heavy Atoms | 29 |
| Complexity | 1044.9016 |
Chemical Identifiers
| CAS Number | 879456-62-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
A3980/0169529 (CAS 879456-62-9), with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol. IUPAC: 6-(4-ethylphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3980/0169529
Property Insights of A3980/0169529
The XLogP value of 3.1542 indicates that A3980/0169529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169529. Following Lipinski's Rule of Five, A3980/0169529 has 1 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 A3980/0169529?
The CAS number of A3980/0169529 is 879456-62-9.
What is the molecular formula of A3980/0169529?
The molecular formula of A3980/0169529 is C21H20N4O4.
What is the molecular weight of A3980/0169529?
The molecular weight of A3980/0169529 is 392.15 g/mol.
Where can I buy A3980/0169529?
You can request a quote for A3980/0169529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169529?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.