![7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/573/573971-59-2.png)
7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 573971-59-2) is a chemical compound with molecular formula C20H10ClF7N4O2 and molecular weight 506.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(3-chlorophenyl)-1-(2-fluorophenyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H10ClF7N4O2 |
|---|---|
| Molecular Weight | 506.04 g/mol |
| LogP | 4.5105 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 506.03806 |
| Heavy Atoms | 34 |
| Complexity | 1426.3004 |
Chemical Identifiers
| CAS Number | 573971-59-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC(=CC=C4)Cl)(C(F)(F)F)C(F)(F)F)F |
Product Overview
7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 573971-59-2), with molecular formula C20H10ClF7N4O2 and molecular weight 506.04 g/mol. IUPAC: 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 4.5105 indicates that 7-(3-chlorophenyl)-1-(2-fluorophenyl)-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 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 7-(3-chlorophenyl)-1-(2-fluorophenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 573971-59-2.
What is the molecular formula of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C20H10ClF7N4O2.
What is the molecular weight of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 506.04 g/mol.
Where can I buy 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 7-(3-chlorophenyl)-1-(2-fluorophenyl)-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 7-(3-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-chlorophenyl)-1-(2-fluorophenyl)-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.