A3241/0137651
TL;DR: A3241/0137651 (CAS 577696-54-9) is a chemical compound with molecular formula C15H13F3N4O5 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
Also Known As: A3241/0137651, N-(1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)propionamide, N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide, N-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
| Molecular Formula | C15H13F3N4O5 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0838 |
| Heavy Atoms | 27 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 577696-54-9 |
|---|---|
| SMILES | CCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=CO3)C(F)(F)F |
| InChIKey | KHUPNAAVWGLYFK-UHFFFAOYSA-N |
Product Overview
A3241/0137651 (CAS 577696-54-9), with molecular formula C15H13F3N4O5 and molecular weight 386.08 g/mol. IUPAC: N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide.
Chemical Property Profile of A3241/0137651
Property Insights of A3241/0137651
The XLogP value of -0.3 indicates that A3241/0137651 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3241/0137651. Following Lipinski's Rule of Five, A3241/0137651 has 3 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 A3241/0137651?
The CAS number of A3241/0137651 is 577696-54-9.
What is the molecular formula of A3241/0137651?
The molecular formula of A3241/0137651 is C15H13F3N4O5.
What is the molecular weight of A3241/0137651?
The molecular weight of A3241/0137651 is 386.08 g/mol.
Where can I buy A3241/0137651?
You can request a quote for A3241/0137651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3241/0137651?
Yes, KEHONG BIO provides custom synthesis services for A3241/0137651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.