𫫇泼西汀
TL;DR: 𫫇泼西汀 (CAS 98819-76-2) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
𫫇泼西汀
(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Also Known As: Esreboxetine, Reboxetine, (S,S)-reboxetine, Vestra, Edronax
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 333.0 |
| Melting Point | 170 - 171 °C (mesylate salt) |
| Solubility | 2.23e-02 g/L |
Chemical Identifiers
| CAS Number | 98819-76-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3 |
| InChIKey | CBQGYUDMJHNJBX-OALUTQOASA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
𫫇泼西汀 (CAS 98819-76-2), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine.
Chemical Property Profile of 𫫇泼西汀
Property Insights of 𫫇泼西汀
The XLogP value of 3.0 indicates that 𫫇泼西汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.7 Ų, 𫫇泼西汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 𫫇泼西汀 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 𫫇泼西汀?
The CAS number of 𫫇泼西汀 is 98819-76-2.
What is the molecular formula of 𫫇泼西汀?
The molecular formula of 𫫇泼西汀 is C19H23NO3.
What is the molecular weight of 𫫇泼西汀?
The molecular weight of 𫫇泼西汀 is 313.17 g/mol.
Where can I buy 𫫇泼西汀?
You can request a quote for 𫫇泼西汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 𫫇泼西汀?
Yes, KEHONG BIO provides custom synthesis services for 𫫇泼西汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.