Vesalium
TL;DR: Vesalium (CAS 85075-89-4) is a chemical compound with molecular formula C44H56ClFIN3O3 and molecular weight 855.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;iodide
Also Known As: Vesalium, 4-amino-n-methyl-4-oxo-3,3-diphenyl-n,n-di(propan-2-yl)butan-1-aminium iodide- 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one(1:1:1), (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one; iodide, RefChem:901825
| Molecular Formula | C44H56ClFIN3O3 |
|---|---|
| Molecular Weight | 855.30 g/mol |
| LogP | 5.5411 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 855.3039 |
| Heavy Atoms | 53 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 85075-89-4 |
|---|---|
| SMILES | CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.[I-] |
| InChIKey | YVXKLZNURUZVGQ-UHFFFAOYSA-N |
Product Overview
Vesalium (CAS 85075-89-4), with molecular formula C44H56ClFIN3O3 and molecular weight 855.30 g/mol. IUPAC: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;iodide.
Chemical Property Profile of Vesalium
Property Insights of Vesalium
The XLogP value of 5.5411 indicates that Vesalium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Vesalium. Following Lipinski's Rule of Five, Vesalium has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vesalium?
The CAS number of Vesalium is 85075-89-4.
What is the molecular formula of Vesalium?
The molecular formula of Vesalium is C44H56ClFIN3O3.
What is the molecular weight of Vesalium?
The molecular weight of Vesalium is 855.30 g/mol.
Where can I buy Vesalium?
You can request a quote for Vesalium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vesalium?
Yes, KEHONG BIO provides custom synthesis services for Vesalium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.