Octimibate
TL;DR: Octimibate (CAS 89838-96-0) is a chemical compound with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid
Also Known As: Octimibate, Octimibato, Octimibatum, Octimibate [INN], Octimibatum [Latin]
| Molecular Formula | C29H30N2O3 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.22565 |
| Heavy Atoms | 34 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 89838-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | JJNUVQIGQRFZAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octimibate (CAS 89838-96-0), with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol. IUPAC: 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid.
Chemical Property Profile of Octimibate
Property Insights of Octimibate
The XLogP value of 7.0 indicates that Octimibate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Octimibate. Following Lipinski's Rule of Five, Octimibate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octimibate?
The CAS number of Octimibate is 89838-96-0.
What is the molecular formula of Octimibate?
The molecular formula of Octimibate is C29H30N2O3.
What is the molecular weight of Octimibate?
The molecular weight of Octimibate is 454.23 g/mol.
Where can I buy Octimibate?
You can request a quote for Octimibate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octimibate?
Yes, KEHONG BIO provides custom synthesis services for Octimibate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.