Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)
TL;DR: Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) (CAS 41329-01-5) is a chemical compound with molecular formula C35H60O2 and molecular weight 512.46 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] 2-ethylhexanoate
Also Known As: Cholesteryl 2-ethylhexanoate, Cholest-5-en-3beta-yl 2-ethylhexanoate, CHOLESTERYL2-ETHYLHEXANOATE, Cholest-5-en-3-ol (3beta)-, 2-ethylhexanoate, 2,3-Dimethyl-4-methoxyphenylacetonitrile
| Molecular Formula | C35H60O2 |
|---|---|
| Molecular Weight | 512.46 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 512.45935 |
| Heavy Atoms | 37 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 41329-01-5 |
|---|---|
| SMILES | CCCCC(CC)C(=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 | MOWZDRPKXFFKDM-MTYNKIQNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) (CAS 41329-01-5), with molecular formula C35H60O2 and molecular weight 512.46 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] 2-ethylhexanoate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)
Property Insights of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)
The XLogP value of 12.0 indicates that Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) 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 Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)?
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) is 41329-01-5.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)?
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) is C35H60O2.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)?
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) is 512.46 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)?
You can request a quote for Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) 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-(2-ethylhexanoate)?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.