![1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/712/712346-70-8.png)
1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 712346-70-8) is a chemical compound with molecular formula C17H14F6N4O2 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(3,4-dimethylphenyl)-4-hydroxy-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(3,4-DIMETHYLPHENYL)-7-METHYL-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H14F6N4O2 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 3.30644 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.10208 |
| Heavy Atoms | 29 |
| Complexity | 1126.5682 |
Chemical Identifiers
| CAS Number | 712346-70-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C)(C(F)(F)F)C(F)(F)F)C |
Product Overview
1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 712346-70-8), with molecular formula C17H14F6N4O2 and molecular weight 420.10 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.30644 indicates that 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 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-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 712346-70-8.
What is the molecular formula of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C17H14F6N4O2.
What is the molecular weight of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 420.10 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.