A3980/0169537
TL;DR: A3980/0169537 (CAS 879440-44-5) is a chemical compound with molecular formula C22H20N4O6 and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Also Known As: A3980/0169537, ethyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate, ethyl 4-(1-methyl-4-(3-nitrophenyl)-2,5-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H,5H,7H)-yl)benzoate, ethyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate, ETHYL 4-[1-METHYL-4-(3-NITROPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]BENZOATE
| Molecular Formula | C22H20N4O6 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 2.7685 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.13828 |
| Heavy Atoms | 32 |
| Complexity | 1157.266 |
Chemical Identifiers
| CAS Number | 879440-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
A3980/0169537 (CAS 879440-44-5), with molecular formula C22H20N4O6 and molecular weight 436.14 g/mol. IUPAC: ethyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate.
Chemical Property Profile of A3980/0169537
Property Insights of A3980/0169537
The XLogP value of 2.7685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3980/0169537. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169537. Following Lipinski's Rule of Five, A3980/0169537 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 A3980/0169537?
The CAS number of A3980/0169537 is 879440-44-5.
What is the molecular formula of A3980/0169537?
The molecular formula of A3980/0169537 is C22H20N4O6.
What is the molecular weight of A3980/0169537?
The molecular weight of A3980/0169537 is 436.14 g/mol.
Where can I buy A3980/0169537?
You can request a quote for A3980/0169537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169537?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.