Ezlopitant dihydrochloride
TL;DR: Ezlopitant dihydrochloride (CAS 223389-63-7) is a chemical compound with molecular formula C31H40Cl2N2O and molecular weight 526.25 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;dihydrochloride
Also Known As: Ezlopitant dihydrochloride, 1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxy-5-(1-methylethyl)phenyl)methyl)-, dihydrochloride, (2S,3S)-, 1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxy-5-(1-methylethyl)phenyl)methyl)-, hydrochloride (1:2), (2S,3S)-, 1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, dihydrochloride, (2S,3S)-, 1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, hydrochloride (1:2), (2S,3S)-
| Molecular Formula | C31H40Cl2N2O |
|---|---|
| Molecular Weight | 526.25 g/mol |
| LogP | 7.0467 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.2518 |
| Heavy Atoms | 36 |
| Complexity | 1028.9484 |
Chemical Identifiers
| CAS Number | 223389-63-7 |
|---|---|
| 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.Cl.Cl |
Product Overview
Ezlopitant dihydrochloride (CAS 223389-63-7), with molecular formula C31H40Cl2N2O and molecular weight 526.25 g/mol. IUPAC: (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.
Chemical Property Profile of Ezlopitant dihydrochloride
Property Insights of Ezlopitant dihydrochloride
The XLogP value of 7.0467 indicates that Ezlopitant dihydrochloride 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 dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ezlopitant dihydrochloride 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 dihydrochloride?
The CAS number of Ezlopitant dihydrochloride is 223389-63-7.
What is the molecular formula of Ezlopitant dihydrochloride?
The molecular formula of Ezlopitant dihydrochloride is C31H40Cl2N2O.
What is the molecular weight of Ezlopitant dihydrochloride?
The molecular weight of Ezlopitant dihydrochloride is 526.25 g/mol.
Where can I buy Ezlopitant dihydrochloride?
You can request a quote for Ezlopitant dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ezlopitant dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ezlopitant dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.