![1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione structure](/static/products/578/578002-90-1.png)
1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
TL;DR: 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (CAS 578002-90-1) is a chemical compound with molecular formula C21H16F3N3O2 and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-phenyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 1,3-DIMETHYL-5-PHENYL-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE, 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
| Molecular Formula | C21H16F3N3O2 |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 3.7137 |
| Topological Polar Surface Area | 48.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.11948 |
| Heavy Atoms | 29 |
| Complexity | 1346.0872 |
Chemical Identifiers
| CAS Number | 578002-90-1 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (CAS 578002-90-1), with molecular formula C21H16F3N3O2 and molecular weight 399.12 g/mol. IUPAC: 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
Property Insights of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
The XLogP value of 3.7137 indicates that 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[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 48.93 Ų, 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[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
Frequently Asked Questions
What is the CAS number of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?
The CAS number of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is 578002-90-1.
What is the molecular formula of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular formula of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is C21H16F3N3O2.
What is the molecular weight of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?
The molecular weight of 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is 399.12 g/mol.
Where can I buy 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?
You can request a quote for 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-phenyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.