Espatropate
TL;DR: Espatropate (CAS 15441-15-3) is a chemical compound with molecular formula C19H23N3O3 and molecular weight 341.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate
Also Known As: Espatropate, espatropato, espatropatum, Esparropate, Gold silver sulfide
| Molecular Formula | C19H23N3O3 |
|---|---|
| Molecular Weight | 341.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.17395 |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 15441-15-3 |
|---|---|
| SMILES | C1CN2CCC1[C@H](C2)OC(=O)[C@](CO)(C3=CC=CC=C3)N4C=CN=C4 |
| InChIKey | MDJOZYCYNUJABP-HKUYNNGSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Espatropate (CAS 15441-15-3), with molecular formula C19H23N3O3 and molecular weight 341.17 g/mol. IUPAC: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate.
Chemical Property Profile of Espatropate
Property Insights of Espatropate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Espatropate. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Espatropate. Following Lipinski's Rule of Five, Espatropate has 1 hydrogen bond donor(s) and 5 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 Espatropate?
The CAS number of Espatropate is 15441-15-3.
What is the molecular formula of Espatropate?
The molecular formula of Espatropate is C19H23N3O3.
What is the molecular weight of Espatropate?
The molecular weight of Espatropate is 341.17 g/mol.
Where can I buy Espatropate?
You can request a quote for Espatropate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Espatropate?
Yes, KEHONG BIO provides custom synthesis services for Espatropate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.