Ezlopitant
TL;DR: Ezlopitant (CAS 17514-60-2) is a chemical compound with molecular formula C31H38N2O and molecular weight 454.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Also Known As: Ezlopitant, EZLOPITANTUM, Ezlopitant (USAN/INN), Ezlopitant [USAN:INN], EZLOPITANT [INN]
| Molecular Formula | C31H38N2O |
|---|---|
| Molecular Weight | 454.30 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.2984 |
| Heavy Atoms | 34 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 17514-60-2 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | XPNMCDYOYIKVGB-CONSDPRKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ezlopitant (CAS 17514-60-2), with molecular formula C31H38N2O and molecular weight 454.30 g/mol. IUPAC: (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
Chemical Property Profile of Ezlopitant
Property Insights of Ezlopitant
The XLogP value of 6.5 indicates that Ezlopitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, Ezlopitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ezlopitant has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ezlopitant?
The CAS number of Ezlopitant is 17514-60-2.
What is the molecular formula of Ezlopitant?
The molecular formula of Ezlopitant is C31H38N2O.
What is the molecular weight of Ezlopitant?
The molecular weight of Ezlopitant is 454.30 g/mol.
Where can I buy Ezlopitant?
You can request a quote for Ezlopitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ezlopitant?
Yes, KEHONG BIO provides custom synthesis services for Ezlopitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.