A2911/0122695
TL;DR: A2911/0122695 (CAS 586988-85-4) is a chemical compound with molecular formula C20H11ClF4N4O4 and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Also Known As: A2911/0122695, N-(1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide, N-[1-(4-CHLOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]-4-FLUOROBENZAMIDE, N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide, N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
| Molecular Formula | C20H11ClF4N4O4 |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 2.458 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.0405 |
| Heavy Atoms | 33 |
| Complexity | 1398.0377 |
Chemical Identifiers
| CAS Number | 586988-85-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)F |
Product Overview
A2911/0122695 (CAS 586988-85-4), with molecular formula C20H11ClF4N4O4 and molecular weight 482.04 g/mol. IUPAC: N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide.
Chemical Property Profile of A2911/0122695
Property Insights of A2911/0122695
The XLogP value of 2.458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2911/0122695. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A2911/0122695. Following Lipinski's Rule of Five, A2911/0122695 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 A2911/0122695?
The CAS number of A2911/0122695 is 586988-85-4.
What is the molecular formula of A2911/0122695?
The molecular formula of A2911/0122695 is C20H11ClF4N4O4.
What is the molecular weight of A2911/0122695?
The molecular weight of A2911/0122695 is 482.04 g/mol.
Where can I buy A2911/0122695?
You can request a quote for A2911/0122695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2911/0122695?
Yes, KEHONG BIO provides custom synthesis services for A2911/0122695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.