Verubecestat
TL;DR: Verubecestat (CAS 1286770-55-5) is a chemical compound with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Also Known As: Verubecestat, 6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one, 6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 6-methyl-1'-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl)-1,2-dihydrospiro(3,1-benzoxazine-4,4'-piperidine)-2-one, 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one
| Molecular Formula | C25H27N3O3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 5.05434 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.20523 |
| Heavy Atoms | 31 |
| Complexity | 1098.455 |
Chemical Identifiers
| CAS Number | 1286770-55-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C |
Product Overview
Verubecestat (CAS 1286770-55-5), with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol. IUPAC: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
Chemical Property Profile of Verubecestat
Property Insights of Verubecestat
The XLogP value of 5.05434 indicates that Verubecestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Verubecestat. Following Lipinski's Rule of Five, Verubecestat has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Verubecestat?
The CAS number of Verubecestat is 1286770-55-5.
What is the molecular formula of Verubecestat?
The molecular formula of Verubecestat is C25H27N3O3.
What is the molecular weight of Verubecestat?
The molecular weight of Verubecestat is 417.21 g/mol.
Where can I buy Verubecestat?
You can request a quote for Verubecestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verubecestat?
Yes, KEHONG BIO provides custom synthesis services for Verubecestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.