19-Iodocholesterol 3-acetate
TL;DR: 19-Iodocholesterol 3-acetate (CAS 5434-13-9) is a chemical compound with molecular formula C29H47IO2 and molecular weight 554.26 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] acetate
Also Known As: 19-Iodocholesterol 3-acetate, 19-Iodo-5-cholesten-3beta-ol 3-acetate, 19-iodocholest-5-en-3, A-ol acetate, 19-Iodocholest-5-en-3beta-ol acetate
| Molecular Formula | C29H47IO2 |
|---|---|
| Molecular Weight | 554.26 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.2621 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 5434-13-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)CI)C |
| InChIKey | LVQSCLBKGHGMFF-KVHJHAPGSA-N |
Product Overview
19-Iodocholesterol 3-acetate (CAS 5434-13-9), with molecular formula C29H47IO2 and molecular weight 554.26 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] acetate.
Chemical Property Profile of 19-Iodocholesterol 3-acetate
Property Insights of 19-Iodocholesterol 3-acetate
The XLogP value of 9.9 indicates that 19-Iodocholesterol 3-acetate 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-Iodocholesterol 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Iodocholesterol 3-acetate 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-Iodocholesterol 3-acetate?
The CAS number of 19-Iodocholesterol 3-acetate is 5434-13-9.
What is the molecular formula of 19-Iodocholesterol 3-acetate?
The molecular formula of 19-Iodocholesterol 3-acetate is C29H47IO2.
What is the molecular weight of 19-Iodocholesterol 3-acetate?
The molecular weight of 19-Iodocholesterol 3-acetate is 554.26 g/mol.
Where can I buy 19-Iodocholesterol 3-acetate?
You can request a quote for 19-Iodocholesterol 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Iodocholesterol 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 19-Iodocholesterol 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.