3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate
TL;DR: 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate (CAS 51102-05-7) is a chemical compound with molecular formula C42H54O6 and molecular weight 654.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate, 24,24-Diphenylchol-23-ene-3,7,12-triyl triacetate, [7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-carbonsaeure-aethylester, [7,12-diacetoxy-10,13-dimethyl-17-(1-methyl-4,4-diphenyl-but-3-enyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C42H54O6 |
|---|---|
| Molecular Weight | 654.39 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 654.392 |
| Heavy Atoms | 48 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 51102-05-7 |
|---|---|
| SMILES | CC(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C |
| InChIKey | JRCUYUDFELCKIJ-UHFFFAOYSA-N |
Product Overview
3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate (CAS 51102-05-7), with molecular formula C42H54O6 and molecular weight 654.39 g/mol. IUPAC: [7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate
Property Insights of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate
The XLogP value of 9.9 indicates that 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate. Following Lipinski's Rule of Five, 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate has 0 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 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate?
The CAS number of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate is 51102-05-7.
What is the molecular formula of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate?
The molecular formula of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate is C42H54O6.
What is the molecular weight of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate?
The molecular weight of 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate is 654.39 g/mol.
Where can I buy 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate?
You can request a quote for 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,12-Bis(acetyloxy)-24,24-diphenylchol-23-en-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.