胆固醇己基醚
TL;DR: 胆固醇己基醚 (CAS 74996-31-9) is a chemical compound with molecular formula C33H58O and molecular weight 470.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆固醇己基醚
(3S,8S,9S,10R,13R,14S,17R)-3-hexoxy-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]phenanthrene
Also Known As: Cholesteryl hexyl ether, 3-(Hexyloxy)cholest-5-ene, 3beta-(Hexyloxy)cholest-5-ene, (3S,8S,9S,10R,13R,14S,17R)-3-hexoxy-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]phenanthrene, RefChem:125705
| Molecular Formula | C33H58O |
|---|---|
| Molecular Weight | 470.45 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 470.44876 |
| Heavy Atoms | 34 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 74996-31-9 |
|---|---|
| SMILES | CCCCCCO[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 | HRBCQWUHUOMSHS-IJXDZZBXSA-N |
Product Overview
胆固醇己基醚 (CAS 74996-31-9), with molecular formula C33H58O and molecular weight 470.45 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-3-hexoxy-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]phenanthrene.
Chemical Property Profile of 胆固醇己基醚
Property Insights of 胆固醇己基醚
The XLogP value of 11.4 indicates that 胆固醇己基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 胆固醇己基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆固醇己基醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胆固醇己基醚?
The CAS number of 胆固醇己基醚 is 74996-31-9.
What is the molecular formula of 胆固醇己基醚?
The molecular formula of 胆固醇己基醚 is C33H58O.
What is the molecular weight of 胆固醇己基醚?
The molecular weight of 胆固醇己基醚 is 470.45 g/mol.
Where can I buy 胆固醇己基醚?
You can request a quote for 胆固醇己基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆固醇己基醚?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇己基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.