A3957/0168622
TL;DR: A3957/0168622 (CAS 889969-32-8) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3957/0168622, 6-(3,5-dimethylphenyl)-1-methyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3,5-dimethylphenyl)-3,4,6,7-tetrahydro-1-methyl-4-phenyl-, 6-(3,5-DIMETHYLPHENYL)-1-METHYL-4-PHENYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE, 6-(3,5-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.30044 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 913.2773 |
Chemical Identifiers
| CAS Number | 889969-32-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=CC=C4)C |
Product Overview
A3957/0168622 (CAS 889969-32-8), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 6-(3,5-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3957/0168622
Property Insights of A3957/0168622
The XLogP value of 3.30044 indicates that A3957/0168622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A3957/0168622 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3957/0168622 has 1 hydrogen bond donor(s) and 2 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 A3957/0168622?
The CAS number of A3957/0168622 is 889969-32-8.
What is the molecular formula of A3957/0168622?
The molecular formula of A3957/0168622 is C21H21N3O2.
What is the molecular weight of A3957/0168622?
The molecular weight of A3957/0168622 is 347.16 g/mol.
Where can I buy A3957/0168622?
You can request a quote for A3957/0168622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3957/0168622?
Yes, KEHONG BIO provides custom synthesis services for A3957/0168622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.