Cholesteryl crotonate
TL;DR: Cholesteryl crotonate (CAS 24951-77-7) is a chemical compound with molecular formula C31H50O2 and molecular weight 454.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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] but-2-enoate
Also Known As: cholesteryl crotonate, Cholest-5-en-3beta-yl crotonate, Cholest-5-en-3beta-yl but-2-enoate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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] (E)-but-2-enoate, RefChem:333978
| Molecular Formula | C31H50O2 |
|---|---|
| Molecular Weight | 454.38 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 | 454.38107 |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 24951-77-7 |
|---|---|
| SMILES | CC=CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | WAPKZPLWLMQRHV-GTPODGLVSA-N |
Product Overview
Cholesteryl crotonate (CAS 24951-77-7), with molecular formula C31H50O2 and molecular weight 454.38 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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] but-2-enoate.
Chemical Property Profile of Cholesteryl crotonate
Property Insights of Cholesteryl crotonate
The XLogP value of 9.9 indicates that Cholesteryl crotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl crotonate 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 Cholesteryl crotonate?
The CAS number of Cholesteryl crotonate is 24951-77-7.
What is the molecular formula of Cholesteryl crotonate?
The molecular formula of Cholesteryl crotonate is C31H50O2.
What is the molecular weight of Cholesteryl crotonate?
The molecular weight of Cholesteryl crotonate is 454.38 g/mol.
Where can I buy Cholesteryl crotonate?
You can request a quote for Cholesteryl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl crotonate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.