19-Iodocholesterol 3-acetate
TL;DR: 19-Iodocholesterol 3-acetate (CAS 376378-58-4) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-phenylprop-2-en-1-one
Also Known As: 19-Iodocholesterol 3-acetate, (E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-phenylprop-2-en-1-one, (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-phenylprop-2-en-1-one
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.3079 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 873.57007 |
Chemical Identifiers
| CAS Number | 376378-58-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C3C(=C2C(=O)/C=C/C4=CC=CC=C4)OCO3)OC |
Product Overview
19-Iodocholesterol 3-acetate (CAS 376378-58-4), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of 19-Iodocholesterol 3-acetate
Property Insights of 19-Iodocholesterol 3-acetate
The XLogP value of 3.3079 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 48.0 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 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 376378-58-4.
What is the molecular formula of 19-Iodocholesterol 3-acetate?
The molecular formula of 19-Iodocholesterol 3-acetate is C21H21NO4.
What is the molecular weight of 19-Iodocholesterol 3-acetate?
The molecular weight of 19-Iodocholesterol 3-acetate is 351.15 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.