A2947/0124127
TL;DR: A2947/0124127 (CAS 664368-98-3) is a chemical compound with molecular formula C21H13F7N4O2 and molecular weight 486.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A2947/0124127, 1-(4-Fluoro-phenyl)-7-m-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione, 1-(4-fluorophenyl)-4-hydroxy-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(4-FLUOROPHENYL)-7-(3-METHYLPHENYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 1-(4-fluorophenyl)-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C21H13F7N4O2 |
|---|---|
| Molecular Weight | 486.09 g/mol |
| LogP | 4.16552 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.09268 |
| Heavy Atoms | 34 |
| Complexity | 1403.2502 |
Chemical Identifiers
| CAS Number | 664368-98-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F |
Product Overview
A2947/0124127 (CAS 664368-98-3), with molecular formula C21H13F7N4O2 and molecular weight 486.09 g/mol. IUPAC: 1-(4-fluorophenyl)-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A2947/0124127
Property Insights of A2947/0124127
The XLogP value of 4.16552 indicates that A2947/0124127 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 A2947/0124127. Following Lipinski's Rule of Five, A2947/0124127 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 A2947/0124127?
The CAS number of A2947/0124127 is 664368-98-3.
What is the molecular formula of A2947/0124127?
The molecular formula of A2947/0124127 is C21H13F7N4O2.
What is the molecular weight of A2947/0124127?
The molecular weight of A2947/0124127 is 486.09 g/mol.
Where can I buy A2947/0124127?
You can request a quote for A2947/0124127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2947/0124127?
Yes, KEHONG BIO provides custom synthesis services for A2947/0124127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.