![5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione structure](/static/products/861/861123-68-4.webp)
5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione
TL;DR: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CAS 861123-68-4) is a chemical compound with molecular formula C26H29N3O2 and molecular weight 415.22598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-tert-butylphenyl)-1,3-dimethyl-6-(2-phenylethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione, 5-(4-(tert-butyl)phenyl)-1,3-dimethyl-6-phenethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-tert-butylphenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Technical Specifications
| Molecular Formula | C26H29N3O2 |
| Molecular Weight | 415.22598 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.22598 Da |
| Heavy Atoms | 31 |
| Complexity | 658.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2CCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C |
| InChIKey | FMMZTDPPIBQRNT-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Property Insights of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione
The XLogP value of 4.8 indicates that 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The CAS number of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione is 861123-68-4.
What is the molecular formula of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular formula of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione is C26H29N3O2.
What is the molecular weight of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular weight of 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione is 415.22598 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
You can request a quote for 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 5-(4-tert-butylphenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.