A3221/0136699
TL;DR: A3221/0136699 (CAS 524717-22-4) is a chemical compound with molecular formula C11H11F3N4O4 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Also Known As: A3221/0136699, N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide, N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide, N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
| Molecular Formula | C11H11F3N4O4 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.07324 |
| Heavy Atoms | 22 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 524717-22-4 |
|---|---|
| SMILES | CC(=O)NC1(C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C(F)(F)F |
| InChIKey | ULMFONLDDAVFSI-UHFFFAOYSA-N |
Product Overview
A3221/0136699 (CAS 524717-22-4), with molecular formula C11H11F3N4O4 and molecular weight 320.07 g/mol. IUPAC: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of A3221/0136699
Property Insights of A3221/0136699
The XLogP value of -1.2 indicates that A3221/0136699 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3221/0136699. Following Lipinski's Rule of Five, A3221/0136699 has 2 hydrogen bond donor(s) and 7 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 A3221/0136699?
The CAS number of A3221/0136699 is 524717-22-4.
What is the molecular formula of A3221/0136699?
The molecular formula of A3221/0136699 is C11H11F3N4O4.
What is the molecular weight of A3221/0136699?
The molecular weight of A3221/0136699 is 320.07 g/mol.
Where can I buy A3221/0136699?
You can request a quote for A3221/0136699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3221/0136699?
Yes, KEHONG BIO provides custom synthesis services for A3221/0136699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.