A3241/0137652
TL;DR: A3241/0137652 (CAS 577788-07-9) is a chemical compound with molecular formula C20H21F3N4O4 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
Also Known As: A3241/0137652, N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)pentanamide, N-[2,4,6-TRIOXO-1-(2-PHENYLETHYL)-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]PENTANAMIDE, N-[2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide, N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
| Molecular Formula | C20H21F3N4O4 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 1.7954 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.1515 |
| Heavy Atoms | 31 |
| Complexity | 1108.1337 |
Chemical Identifiers
| CAS Number | 577788-07-9 |
|---|---|
| SMILES | CCCCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CCC3=CC=CC=C3)C(F)(F)F |
Product Overview
A3241/0137652 (CAS 577788-07-9), with molecular formula C20H21F3N4O4 and molecular weight 438.15 g/mol. IUPAC: N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide.
Chemical Property Profile of A3241/0137652
Property Insights of A3241/0137652
The XLogP value of 1.7954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3241/0137652. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A3241/0137652. Following Lipinski's Rule of Five, A3241/0137652 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 A3241/0137652?
The CAS number of A3241/0137652 is 577788-07-9.
What is the molecular formula of A3241/0137652?
The molecular formula of A3241/0137652 is C20H21F3N4O4.
What is the molecular weight of A3241/0137652?
The molecular weight of A3241/0137652 is 438.15 g/mol.
Where can I buy A3241/0137652?
You can request a quote for A3241/0137652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3241/0137652?
Yes, KEHONG BIO provides custom synthesis services for A3241/0137652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.