Calcium ionophore IV
TL;DR: Calcium ionophore IV (CAS 126572-74-5) is a chemical compound with molecular formula C52H100N2O3 and molecular weight 800.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
Also Known As: Calcium ionophore IV, calcium-ionophore iv, Acetamide, 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecyl-, 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide, J1.202.347B
| Molecular Formula | C52H100N2O3 |
|---|---|
| Molecular Weight | 800.77 g/mol |
| LogP | 20.4 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 40 |
| Exact Mass | 800.7734 |
| Heavy Atoms | 57 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 126572-74-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C2CCCCC2 |
| InChIKey | CLLKVTAGSOWKHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium ionophore IV (CAS 126572-74-5), with molecular formula C52H100N2O3 and molecular weight 800.77 g/mol. IUPAC: 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide.
Chemical Property Profile of Calcium ionophore IV
Property Insights of Calcium ionophore IV
The XLogP value of 20.4 indicates that Calcium ionophore IV is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, Calcium ionophore IV exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calcium ionophore IV has 0 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 Calcium ionophore IV?
The CAS number of Calcium ionophore IV is 126572-74-5.
What is the molecular formula of Calcium ionophore IV?
The molecular formula of Calcium ionophore IV is C52H100N2O3.
What is the molecular weight of Calcium ionophore IV?
The molecular weight of Calcium ionophore IV is 800.77 g/mol.
Where can I buy Calcium ionophore IV?
You can request a quote for Calcium ionophore IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium ionophore IV?
Yes, KEHONG BIO provides custom synthesis services for Calcium ionophore IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.