A3980/0169531
TL;DR: A3980/0169531 (CAS 889976-52-7) is a chemical compound with molecular formula C19H15N5O6 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(3-nitrophenyl)-6-(4-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3980/0169531, 1-methyl-4-(3-nitrophenyl)-6-(4-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 1-methyl-4-(3-nitrophenyl)-6-(4-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C19H15N5O6 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 138.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.10223 |
| Heavy Atoms | 30 |
| Complexity | 1126.4899 |
Chemical Identifiers
| CAS Number | 889976-52-7 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
A3980/0169531 (CAS 889976-52-7), with molecular formula C19H15N5O6 and molecular weight 409.10 g/mol. IUPAC: 1-methyl-4-(3-nitrophenyl)-6-(4-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3980/0169531
Property Insights of A3980/0169531
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3980/0169531. The TPSA of 138.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169531. Following Lipinski's Rule of Five, A3980/0169531 has 1 hydrogen bond donor(s) and 6 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 A3980/0169531?
The CAS number of A3980/0169531 is 889976-52-7.
What is the molecular formula of A3980/0169531?
The molecular formula of A3980/0169531 is C19H15N5O6.
What is the molecular weight of A3980/0169531?
The molecular weight of A3980/0169531 is 409.10 g/mol.
Where can I buy A3980/0169531?
You can request a quote for A3980/0169531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169531?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.