A3101/0131298
TL;DR: A3101/0131298 (CAS 606924-13-4) is a chemical compound with molecular formula C14H11F3N4O5 and molecular weight 372.07 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]furan-2-carboxamide
Also Known As: A3101/0131298, N-[1,3-Dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7, 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)furan-2-carboxamide, N-[1,3-DIMETHYL-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]FURAN-2-CARBOXAMIDE, 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]furan-2-carboxamide
| Molecular Formula | C14H11F3N4O5 |
|---|---|
| Molecular Weight | 372.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.06815 |
| Heavy Atoms | 26 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 606924-13-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NC(=O)C3=CC=CO3 |
| InChIKey | VLFKMNKNBAISHX-UHFFFAOYSA-N |
Product Overview
A3101/0131298 (CAS 606924-13-4), with molecular formula C14H11F3N4O5 and molecular weight 372.07 g/mol. IUPAC: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide.
Chemical Property Profile of A3101/0131298
Property Insights of A3101/0131298
The XLogP value of -0.1 indicates that A3101/0131298 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131298. Following Lipinski's Rule of Five, A3101/0131298 has 2 hydrogen bond donor(s) and 8 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 A3101/0131298?
The CAS number of A3101/0131298 is 606924-13-4.
What is the molecular formula of A3101/0131298?
The molecular formula of A3101/0131298 is C14H11F3N4O5.
What is the molecular weight of A3101/0131298?
The molecular weight of A3101/0131298 is 372.07 g/mol.
Where can I buy A3101/0131298?
You can request a quote for A3101/0131298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131298?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.