A3233/0137286
TL;DR: A3233/0137286 (CAS 573948-69-3) is a chemical compound with molecular formula C16H12ClF3N4O4 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-chloroacetamide
Also Known As: A3233/0137286, N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloroacetamide, N-[1-BENZYL-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]-2-CHLOROACETAMIDE, N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-chloroacetamide, N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-chloroacetamide
| Molecular Formula | C16H12ClF3N4O4 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 0.6496 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.04993 |
| Heavy Atoms | 28 |
| Complexity | 1064.2847 |
Chemical Identifiers
| CAS Number | 573948-69-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)CCl |
Product Overview
A3233/0137286 (CAS 573948-69-3), with molecular formula C16H12ClF3N4O4 and molecular weight 416.05 g/mol. IUPAC: N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-chloroacetamide.
Chemical Property Profile of A3233/0137286
Property Insights of A3233/0137286
The XLogP value of 0.6496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3233/0137286. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A3233/0137286. Following Lipinski's Rule of Five, A3233/0137286 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 A3233/0137286?
The CAS number of A3233/0137286 is 573948-69-3.
What is the molecular formula of A3233/0137286?
The molecular formula of A3233/0137286 is C16H12ClF3N4O4.
What is the molecular weight of A3233/0137286?
The molecular weight of A3233/0137286 is 416.05 g/mol.
Where can I buy A3233/0137286?
You can request a quote for A3233/0137286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3233/0137286?
Yes, KEHONG BIO provides custom synthesis services for A3233/0137286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.