Sch 28080
TL;DR: Sch 28080 (CAS 76081-98-6) is a chemical compound with molecular formula C17H15N3O and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile
Also Known As: Sch 28080, Schering compound 28080, Lopac-S-4443, 2-methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile, Tox21_500439
| Molecular Formula | C17H15N3O |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.12152 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 76081-98-6 |
|---|---|
| SMILES | CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N |
| InChIKey | PYKJFEPAUKAXNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sch 28080 (CAS 76081-98-6), with molecular formula C17H15N3O and molecular weight 277.12 g/mol. IUPAC: 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile.
Chemical Property Profile of Sch 28080
Property Insights of Sch 28080
The XLogP value of 3.3 indicates that Sch 28080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.3 Ų, Sch 28080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sch 28080 has 0 hydrogen bond donor(s) and 3 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 Sch 28080?
The CAS number of Sch 28080 is 76081-98-6.
What is the molecular formula of Sch 28080?
The molecular formula of Sch 28080 is C17H15N3O.
What is the molecular weight of Sch 28080?
The molecular weight of Sch 28080 is 277.12 g/mol.
Where can I buy Sch 28080?
You can request a quote for Sch 28080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 28080?
Yes, KEHONG BIO provides custom synthesis services for Sch 28080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.