![1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE structure](/static/products/577/577761-81-0.png)
1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE
TL;DR: 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE (CAS 577761-81-0) is a chemical compound with molecular formula C22H18F3N3O2 and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE, 1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-(p-tolyl)-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
| Molecular Formula | C22H18F3N3O2 |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 4.02212 |
| Topological Polar Surface Area | 48.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.1351 |
| Heavy Atoms | 30 |
| Complexity | 1390.8934 |
Chemical Identifiers
| CAS Number | 577761-81-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C3C(=CN2C4=CC=CC(=C4)C(F)(F)F)N(C(=O)N(C3=O)C)C |
Product Overview
1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE (CAS 577761-81-0), with molecular formula C22H18F3N3O2 and molecular weight 413.14 g/mol. IUPAC: 1,3-dimethyl-5-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE
Property Insights of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE
The XLogP value of 4.02212 indicates that 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-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-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-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-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-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-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE?
The CAS number of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE is 577761-81-0.
What is the molecular formula of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE?
The molecular formula of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE is C22H18F3N3O2.
What is the molecular weight of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE?
The molecular weight of 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE is 413.14 g/mol.
Where can I buy 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE?
You can request a quote for 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-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-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE?
Yes, KEHONG BIO provides custom synthesis services for 1,3-DIMETHYL-5-(4-METHYLPHENYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,6H-PYRROLO[3,4-D]PYRIMIDINE-2,4-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.