A2936/0123597
TL;DR: A2936/0123597 (CAS 606923-88-0) 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]-2-fluorobenzamide
Also Known As: A2936/0123597, 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)-2-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]-2-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]-2-fluorobenzamide, N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-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 | 1415.2877 |
Chemical Identifiers
| CAS Number | 606923-88-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)F |
Product Overview
A2936/0123597 (CAS 606923-88-0), 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]-2-fluorobenzamide.
Chemical Property Profile of A2936/0123597
Property Insights of A2936/0123597
The XLogP value of 2.458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2936/0123597. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A2936/0123597. Following Lipinski's Rule of Five, A2936/0123597 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 A2936/0123597?
The CAS number of A2936/0123597 is 606923-88-0.
What is the molecular formula of A2936/0123597?
The molecular formula of A2936/0123597 is C20H11ClF4N4O4.
What is the molecular weight of A2936/0123597?
The molecular weight of A2936/0123597 is 482.04 g/mol.
Where can I buy A2936/0123597?
You can request a quote for A2936/0123597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2936/0123597?
Yes, KEHONG BIO provides custom synthesis services for A2936/0123597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.