19-Iodocholesteryl oleate
TL;DR: 19-Iodocholesteryl oleate (CAS 74728-04-4) is a chemical compound with molecular formula C45H77IO2 and molecular weight 776.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10S,13R,14S,17R)-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 19-Iodocholesteryl oleate, Cholest-5-en-3-ol, 19-iodo-, 9-octadecenoate, (3beta(Z))-, [(3S,8S,9S,10S,13R,14S,17R)-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate, RefChem:79510
| Molecular Formula | C45H77IO2 |
|---|---|
| Molecular Weight | 776.50 g/mol |
| LogP | 14.3922 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 776.4968 |
| Heavy Atoms | 48 |
| Complexity | 998.94214 |
Chemical Identifiers
| CAS Number | 74728-04-4 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)CI |
Product Overview
19-Iodocholesteryl oleate (CAS 74728-04-4), with molecular formula C45H77IO2 and molecular weight 776.50 g/mol. IUPAC: [(3S,8S,9S,10S,13R,14S,17R)-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate.
Chemical Property Profile of 19-Iodocholesteryl oleate
Property Insights of 19-Iodocholesteryl oleate
The XLogP value of 14.3922 indicates that 19-Iodocholesteryl oleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 19-Iodocholesteryl oleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Iodocholesteryl oleate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 19-Iodocholesteryl oleate?
The CAS number of 19-Iodocholesteryl oleate is 74728-04-4.
What is the molecular formula of 19-Iodocholesteryl oleate?
The molecular formula of 19-Iodocholesteryl oleate is C45H77IO2.
What is the molecular weight of 19-Iodocholesteryl oleate?
The molecular weight of 19-Iodocholesteryl oleate is 776.50 g/mol.
Where can I buy 19-Iodocholesteryl oleate?
You can request a quote for 19-Iodocholesteryl oleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Iodocholesteryl oleate?
Yes, KEHONG BIO provides custom synthesis services for 19-Iodocholesteryl oleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.