A2946/0124112
TL;DR: A2946/0124112 (CAS 579442-62-9) is a chemical compound with molecular formula C22H16F4N4O4 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide
Also Known As: A2946/0124112, N-(1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide, N-[1-(4-FLUOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]-3-PHENYLPROPANAMIDE, N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide, N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide
| Molecular Formula | C22H16F4N4O4 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 2.1236 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.11078 |
| Heavy Atoms | 34 |
| Complexity | 1381.244 |
Chemical Identifiers
| CAS Number | 579442-62-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
A2946/0124112 (CAS 579442-62-9), with molecular formula C22H16F4N4O4 and molecular weight 476.11 g/mol. IUPAC: N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide.
Chemical Property Profile of A2946/0124112
Property Insights of A2946/0124112
The XLogP value of 2.1236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2946/0124112. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A2946/0124112. Following Lipinski's Rule of Five, A2946/0124112 has 3 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 A2946/0124112?
The CAS number of A2946/0124112 is 579442-62-9.
What is the molecular formula of A2946/0124112?
The molecular formula of A2946/0124112 is C22H16F4N4O4.
What is the molecular weight of A2946/0124112?
The molecular weight of A2946/0124112 is 476.11 g/mol.
Where can I buy A2946/0124112?
You can request a quote for A2946/0124112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2946/0124112?
Yes, KEHONG BIO provides custom synthesis services for A2946/0124112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.