3-Triethoxycholesterol
TL;DR: 3-Triethoxycholesterol (CAS 78795-17-2) is a chemical compound with molecular formula C33H58O4 and molecular weight 518.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[[(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]oxy]ethoxy]ethoxy]ethanol
Also Known As: 3-Triethoxycholesterol, J1.133.825I, 8-(3beta-Cholesteryloxy)-3,6-dioxa-1-octanol, 8-(cholest-5-en-3beta-yloxy)-3,6-dioxaoctan-1-ol, 8-(3beta-Cholesteryloxy)-3,6-dioxaoctane-1-ol
| Molecular Formula | C33H58O4 |
|---|---|
| Molecular Weight | 518.43 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 518.43353 |
| Heavy Atoms | 37 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 78795-17-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCOCCOCCO)C)C |
| InChIKey | VVUFLQVAKXEWGR-IJXDZZBXSA-N |
Product Overview
3-Triethoxycholesterol (CAS 78795-17-2), with molecular formula C33H58O4 and molecular weight 518.43 g/mol. IUPAC: 2-[2-[2-[[(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]oxy]ethoxy]ethoxy]ethanol.
Chemical Property Profile of 3-Triethoxycholesterol
Property Insights of 3-Triethoxycholesterol
The XLogP value of 8.1 indicates that 3-Triethoxycholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 3-Triethoxycholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Triethoxycholesterol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Triethoxycholesterol?
The CAS number of 3-Triethoxycholesterol is 78795-17-2.
What is the molecular formula of 3-Triethoxycholesterol?
The molecular formula of 3-Triethoxycholesterol is C33H58O4.
What is the molecular weight of 3-Triethoxycholesterol?
The molecular weight of 3-Triethoxycholesterol is 518.43 g/mol.
Where can I buy 3-Triethoxycholesterol?
You can request a quote for 3-Triethoxycholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Triethoxycholesterol?
Yes, KEHONG BIO provides custom synthesis services for 3-Triethoxycholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.