![5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/847/847247-15-8.png)
5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 847247-15-8) is a chemical compound with molecular formula C22H18F3N3O3 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-1,3-dimethyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C22H18F3N3O3 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 3.7223 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.13004 |
| Heavy Atoms | 31 |
| Complexity | 1410.9336 |
Chemical Identifiers
| CAS Number | 847247-15-8 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 847247-15-8), with molecular formula C22H18F3N3O3 and molecular weight 429.13 g/mol. IUPAC: 5-(4-methoxyphenyl)-1,3-dimethyl-6-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 3.7223 indicates that 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.16 Ų, 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 0 hydrogen bond donor(s) and 3 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 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 847247-15-8.
What is the molecular formula of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C22H18F3N3O3.
What is the molecular weight of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 429.13 g/mol.
Where can I buy 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-1,3-dimethyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.