A2898/0122068
TL;DR: A2898/0122068 (CAS 524717-12-2) is a chemical compound with molecular formula C16H19F3N4O4 and molecular weight 388.14 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]cyclohexanecarboxamide
Also Known As: A2898/0122068, Cyclohexanecarboxylic acid, (1,3-dimethyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)amide, 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)cyclohexanecarboxamide, N-[1,3-DIMETHYL-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]CYCLOHEXANECARBOXAMIDE, 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]cyclohexanecarboxamide
| Molecular Formula | C16H19F3N4O4 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.4902 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.13583 |
| Heavy Atoms | 27 |
| Complexity | 927.3089 |
Chemical Identifiers
| CAS Number | 524717-12-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NC(=O)C3CCCCC3 |
Product Overview
A2898/0122068 (CAS 524717-12-2), with molecular formula C16H19F3N4O4 and molecular weight 388.14 g/mol. IUPAC: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide.
Chemical Property Profile of A2898/0122068
Property Insights of A2898/0122068
The XLogP value of 0.4902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2898/0122068. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A2898/0122068. Following Lipinski's Rule of Five, A2898/0122068 has 2 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 A2898/0122068?
The CAS number of A2898/0122068 is 524717-12-2.
What is the molecular formula of A2898/0122068?
The molecular formula of A2898/0122068 is C16H19F3N4O4.
What is the molecular weight of A2898/0122068?
The molecular weight of A2898/0122068 is 388.14 g/mol.
Where can I buy A2898/0122068?
You can request a quote for A2898/0122068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2898/0122068?
Yes, KEHONG BIO provides custom synthesis services for A2898/0122068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.