Maropitant Citrate
TL;DR: Maropitant Citrate (CAS 359877-80-8) is a chemical compound with molecular formula C38H50N2O9 and molecular weight 678.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Also Known As: Maropitant citrate, Cerenia, Maropitant citrate hydrate, Ceritant, Emeprev
| Molecular Formula | C38H50N2O9 |
|---|---|
| Molecular Weight | 678.35 g/mol |
| LogP | 4.304 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 678.3516 |
| Heavy Atoms | 49 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 359877-80-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| InChIKey | PGVSXRHFXJOMGW-YBZGWEFGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Maropitant Citrate (CAS 359877-80-8), with molecular formula C38H50N2O9 and molecular weight 678.35 g/mol. IUPAC: (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
Chemical Property Profile of Maropitant Citrate
Property Insights of Maropitant Citrate
The XLogP value of 4.304 indicates that Maropitant Citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Maropitant Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Maropitant Citrate has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maropitant Citrate?
The CAS number of Maropitant Citrate is 359877-80-8.
What is the molecular formula of Maropitant Citrate?
The molecular formula of Maropitant Citrate is C38H50N2O9.
What is the molecular weight of Maropitant Citrate?
The molecular weight of Maropitant Citrate is 678.35 g/mol.
Where can I buy Maropitant Citrate?
You can request a quote for Maropitant Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maropitant Citrate?
Yes, KEHONG BIO provides custom synthesis services for Maropitant Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.