A2911/0122696
TL;DR: A2911/0122696 (CAS 578733-68-3) is a chemical compound with molecular formula C19H11F4N5O4 and molecular weight 449.07 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]pyridine-3-carboxamide
Also Known As: A2911/0122696, 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)nicotinamide, N-[1-(4-Fluoro-phenyl)-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5 -yl]-nicotinamide, N-[1-(4-FLUOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]PYRIDINE-3-CARBOXAMIDE, 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]pyridine-3-carboxamide
| Molecular Formula | C19H11F4N5O4 |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 1.1996 |
| Topological Polar Surface Area | 125.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.0747 |
| Heavy Atoms | 32 |
| Complexity | 1349.3616 |
Chemical Identifiers
| CAS Number | 578733-68-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
A2911/0122696 (CAS 578733-68-3), with molecular formula C19H11F4N5O4 and molecular weight 449.07 g/mol. IUPAC: N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide.
Chemical Property Profile of A2911/0122696
Property Insights of A2911/0122696
The XLogP value of 1.1996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2911/0122696. The TPSA of 125.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A2911/0122696. Following Lipinski's Rule of Five, A2911/0122696 has 3 hydrogen bond donor(s) and 5 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 A2911/0122696?
The CAS number of A2911/0122696 is 578733-68-3.
What is the molecular formula of A2911/0122696?
The molecular formula of A2911/0122696 is C19H11F4N5O4.
What is the molecular weight of A2911/0122696?
The molecular weight of A2911/0122696 is 449.07 g/mol.
Where can I buy A2911/0122696?
You can request a quote for A2911/0122696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2911/0122696?
Yes, KEHONG BIO provides custom synthesis services for A2911/0122696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.