A3879/0164857
TL;DR: A3879/0164857 (CAS 728035-84-5) is a chemical compound with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate
Also Known As: A3879/0164857, ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate, ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate, ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H,5H,7H)-yl)benzoate
| Molecular Formula | C22H21N3O4 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 2.8603 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1532 |
| Heavy Atoms | 29 |
| Complexity | 998.47723 |
Chemical Identifiers
| CAS Number | 728035-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=CC=C4 |
Product Overview
A3879/0164857 (CAS 728035-84-5), with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol. IUPAC: ethyl 4-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate.
Chemical Property Profile of A3879/0164857
Property Insights of A3879/0164857
The XLogP value of 2.8603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3879/0164857. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3879/0164857. Following Lipinski's Rule of Five, A3879/0164857 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 A3879/0164857?
The CAS number of A3879/0164857 is 728035-84-5.
What is the molecular formula of A3879/0164857?
The molecular formula of A3879/0164857 is C22H21N3O4.
What is the molecular weight of A3879/0164857?
The molecular weight of A3879/0164857 is 391.15 g/mol.
Where can I buy A3879/0164857?
You can request a quote for A3879/0164857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3879/0164857?
Yes, KEHONG BIO provides custom synthesis services for A3879/0164857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.