20-Dehydro Cholesterol 3-Acetate
TL;DR: 20-Dehydro Cholesterol 3-Acetate (CAS 54548-85-5) is a chemical compound with molecular formula C29H46O2 and molecular weight 426.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylhept-2-en-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: 20-Dehydro Cholesterol 3-Acetate
| Molecular Formula | C29H46O2 |
|---|---|
| Molecular Weight | 426.35 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.3498 |
| Heavy Atoms | 31 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 54548-85-5 |
|---|---|
| SMILES | CC(C)CCC=C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | ZIGPUMCZEUYNPF-UHFFFAOYSA-N |
Product Overview
20-Dehydro Cholesterol 3-Acetate (CAS 54548-85-5), with molecular formula C29H46O2 and molecular weight 426.35 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylhept-2-en-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 20-Dehydro Cholesterol 3-Acetate
Property Insights of 20-Dehydro Cholesterol 3-Acetate
The XLogP value of 8.6 indicates that 20-Dehydro Cholesterol 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, 20-Dehydro Cholesterol 3-Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-Dehydro Cholesterol 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 20-Dehydro Cholesterol 3-Acetate?
The CAS number of 20-Dehydro Cholesterol 3-Acetate is 54548-85-5.
What is the molecular formula of 20-Dehydro Cholesterol 3-Acetate?
The molecular formula of 20-Dehydro Cholesterol 3-Acetate is C29H46O2.
What is the molecular weight of 20-Dehydro Cholesterol 3-Acetate?
The molecular weight of 20-Dehydro Cholesterol 3-Acetate is 426.35 g/mol.
Where can I buy 20-Dehydro Cholesterol 3-Acetate?
You can request a quote for 20-Dehydro Cholesterol 3-Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Dehydro Cholesterol 3-Acetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Dehydro Cholesterol 3-Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.