![7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione structure](/static/products/578/578005-71-7.png)
7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
TL;DR: 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione (CAS 578005-71-7) is a chemical compound with molecular formula C20H26F6N4O2 and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-cyclohexylethyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione, 7-(2-cyclohexylethyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 7-(2-CYCLOHEXYLETHYL)-1-(2-METHYLPROPYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 7-(2-cyclohexylethyl)-1-isobutyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(2-cyclohexylethyl)-1-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
| Molecular Formula | C20H26F6N4O2 |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 4.697 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.19598 |
| Heavy Atoms | 32 |
| Complexity | 969.7651 |
Chemical Identifiers
| CAS Number | 578005-71-7 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)NC1=O)C(N=C(N2)CCC3CCCCC3)(C(F)(F)F)C(F)(F)F |
Product Overview
7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione (CAS 578005-71-7), with molecular formula C20H26F6N4O2 and molecular weight 468.20 g/mol. IUPAC: 7-(2-cyclohexylethyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
Property Insights of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
The XLogP value of 4.697 indicates that 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-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 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-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 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The CAS number of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione is 578005-71-7.
What is the molecular formula of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular formula of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione is C20H26F6N4O2.
What is the molecular weight of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular weight of 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione is 468.20 g/mol.
Where can I buy 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
You can request a quote for 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-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 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.