Ivarimod
TL;DR: Ivarimod (CAS 53003-81-9) is a chemical compound with molecular formula C30H44N2O5 and molecular weight 512.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione
Also Known As: Ivarimod, Ivarimodum, Ivarimod [INN], Ivarimods, Ivarimodum [INN-Latin]
| Molecular Formula | C30H44N2O5 |
|---|---|
| Molecular Weight | 512.33 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.325 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 53003-81-9 |
|---|---|
| SMILES | CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1[C@@H]5[C@H]3C(=O)N(C5=O)CCO)(CCC[C@@]4(C)C(=O)N6CCOCC6)C |
| InChIKey | YBWSFBMTGQZOMO-JKMJZXPOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ivarimod (CAS 53003-81-9), with molecular formula C30H44N2O5 and molecular weight 512.33 g/mol. IUPAC: (1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione.
Chemical Property Profile of Ivarimod
Property Insights of Ivarimod
The XLogP value of 3.0 indicates that Ivarimod is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ivarimod. Following Lipinski's Rule of Five, Ivarimod has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ivarimod?
The CAS number of Ivarimod is 53003-81-9.
What is the molecular formula of Ivarimod?
The molecular formula of Ivarimod is C30H44N2O5.
What is the molecular weight of Ivarimod?
The molecular weight of Ivarimod is 512.33 g/mol.
Where can I buy Ivarimod?
You can request a quote for Ivarimod directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ivarimod?
Yes, KEHONG BIO provides custom synthesis services for Ivarimod and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.