F2617-0796
TL;DR: F2617-0796 (CAS 898456-68-3) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: F2617-0796, 2-((6-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(5-methylisoxazol-3-yl)acetamide, 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H-pyran-3-yl}oxy)acetamide, N-(5-methyl-3-isoxazolyl){4-oxo-6-[(1,2,3,4-tetrahydro-2-isoquinolyl)methyl]-4H-pyran-3-yloxy}acetamide
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 2.51202 |
| Topological Polar Surface Area | 97.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1071.9286 |
Chemical Identifiers
| CAS Number | 898456-68-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3 |
Product Overview
F2617-0796 (CAS 898456-68-3), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of F2617-0796
Property Insights of F2617-0796
The XLogP value of 2.51202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2617-0796. The TPSA of 97.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F2617-0796. Following Lipinski's Rule of Five, F2617-0796 has 1 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 F2617-0796?
The CAS number of F2617-0796 is 898456-68-3.
What is the molecular formula of F2617-0796?
The molecular formula of F2617-0796 is C21H21N3O5.
What is the molecular weight of F2617-0796?
The molecular weight of F2617-0796 is 395.15 g/mol.
Where can I buy F2617-0796?
You can request a quote for F2617-0796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2617-0796?
Yes, KEHONG BIO provides custom synthesis services for F2617-0796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.