Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)
TL;DR: Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) (CAS 86689-89-6) is a chemical compound with molecular formula C34H54O5 and molecular weight 542.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enoyl 4-[(3S,4R,5R,6R,8R,9S,10S,13S,17S)-3,6-dihydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]butanoate
Also Known As: Cholest-5-en-3-ol (3beta)-, 4-((1-oxo-2-propenyl)oxy)butanoate, Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate), Cholest-5-en-3-ol (3.beta.)-, 4-[(1-oxo-2-propenyl)oxy]butanoate, Cholest-5-en-3-ol (3beta)-, 3-[4-[(1-oxo-2-propen-1-yl)oxy]butanoate], prop-2-enoyl 4-[(3S,4R,5R,6R,8R,9S,10S,13S,17S)-3,6-dihydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]butanoate
| Molecular Formula | C34H54O5 |
|---|---|
| Molecular Weight | 542.40 g/mol |
| LogP | 7.0117 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.3971 |
| Heavy Atoms | 39 |
| Complexity | 937.8701 |
Chemical Identifiers
| CAS Number | 86689-89-6 |
|---|---|
| SMILES | C[C@@H](CCCC(C)C)[C@@H]1CC=C2[C@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]([C@@H]4CCCC(=O)OC(=O)C=C)O)C)O)C |
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) (CAS 86689-89-6), with molecular formula C34H54O5 and molecular weight 542.40 g/mol. IUPAC: prop-2-enoyl 4-[(3S,4R,5R,6R,8R,9S,10S,13S,17S)-3,6-dihydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]butanoate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)
Property Insights of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)
The XLogP value of 7.0117 indicates that Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate). Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)?
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) is 86689-89-6.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)?
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) is C34H54O5.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)?
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) is 542.40 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)?
You can request a quote for Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.