Cholesterol, 5-methyl-1-hexanoate
TL;DR: Cholesterol, 5-methyl-1-hexanoate (CAS 63019-46-5) is a chemical compound with molecular formula C34H58O2 and molecular weight 498.44 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] 5-methylhexanoate
Also Known As: Cholesterol isoheptylate, Cholesterol, 5-methyl-1-hexanoate, Cholesterol 5-methylhexanoate, KST-1A7047, Cholest-5-en-3-yl 5-methylhexanoate
| Molecular Formula | C34H58O2 |
|---|---|
| Molecular Weight | 498.44 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 498.4437 |
| Heavy Atoms | 36 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 63019-46-5 |
|---|---|
| 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)OC(=O)CCCC(C)C)C)C |
| InChIKey | XIOQQDDONZKEPI-DYQRUOQXSA-N |
Product Overview
Cholesterol, 5-methyl-1-hexanoate (CAS 63019-46-5), with molecular formula C34H58O2 and molecular weight 498.44 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] 5-methylhexanoate.
Chemical Property Profile of Cholesterol, 5-methyl-1-hexanoate
Property Insights of Cholesterol, 5-methyl-1-hexanoate
The XLogP value of 11.3 indicates that Cholesterol, 5-methyl-1-hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesterol, 5-methyl-1-hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterol, 5-methyl-1-hexanoate 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 Cholesterol, 5-methyl-1-hexanoate?
The CAS number of Cholesterol, 5-methyl-1-hexanoate is 63019-46-5.
What is the molecular formula of Cholesterol, 5-methyl-1-hexanoate?
The molecular formula of Cholesterol, 5-methyl-1-hexanoate is C34H58O2.
What is the molecular weight of Cholesterol, 5-methyl-1-hexanoate?
The molecular weight of Cholesterol, 5-methyl-1-hexanoate is 498.44 g/mol.
Where can I buy Cholesterol, 5-methyl-1-hexanoate?
You can request a quote for Cholesterol, 5-methyl-1-hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesterol, 5-methyl-1-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Cholesterol, 5-methyl-1-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.