IWR-1-exo
TL;DR: IWR-1-exo (CAS 1127442-87-8) is a chemical compound with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide
Also Known As: IWR-1-exo, exo-IWR-1, exo-IWR 1, IWR 1-exo, IWR-1-exo; exo-IWR-1;
| Molecular Formula | C25H19N3O3 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 3.7986 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.14264 |
| Heavy Atoms | 31 |
| Complexity | 1245.4216 |
Chemical Identifiers
| CAS Number | 1127442-87-8 |
|---|---|
| SMILES | C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 |
Product Overview
IWR-1-exo (CAS 1127442-87-8), with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol. IUPAC: 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide.
Chemical Property Profile of IWR-1-exo
Property Insights of IWR-1-exo
The XLogP value of 3.7986 indicates that IWR-1-exo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for IWR-1-exo. Following Lipinski's Rule of Five, IWR-1-exo has 1 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 IWR-1-exo?
The CAS number of IWR-1-exo is 1127442-87-8.
What is the molecular formula of IWR-1-exo?
The molecular formula of IWR-1-exo is C25H19N3O3.
What is the molecular weight of IWR-1-exo?
The molecular weight of IWR-1-exo is 409.14 g/mol.
Where can I buy IWR-1-exo?
You can request a quote for IWR-1-exo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IWR-1-exo?
Yes, KEHONG BIO provides custom synthesis services for IWR-1-exo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.