胆甾醇戊酸酯
TL;DR: 胆甾醇戊酸酯 (CAS 7726-03-6) is a chemical compound with molecular formula C32H54O2 and molecular weight 470.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆甾醇戊酸酯
[(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] pentanoate
Also Known As: Cholesterol Valerate, Cholesteryl valerate, Cholesterol n-valerate, Cholesteryl n-valerate, Cholesteryl pentanoate
| Molecular Formula | C32H54O2 |
|---|---|
| Molecular Weight | 470.41 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.41238 |
| Heavy Atoms | 34 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 7726-03-6 |
|---|---|
| SMILES | CCCCC(=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 | RWTQCZGAMKTBRV-PTHRTHQKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胆甾醇戊酸酯 (CAS 7726-03-6), with molecular formula C32H54O2 and molecular weight 470.41 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] pentanoate.
Chemical Property Profile of 胆甾醇戊酸酯
Property Insights of 胆甾醇戊酸酯
The XLogP value of 10.5 indicates that 胆甾醇戊酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 胆甾醇戊酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆甾醇戊酸酯 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 胆甾醇戊酸酯?
The CAS number of 胆甾醇戊酸酯 is 7726-03-6.
What is the molecular formula of 胆甾醇戊酸酯?
The molecular formula of 胆甾醇戊酸酯 is C32H54O2.
What is the molecular weight of 胆甾醇戊酸酯?
The molecular weight of 胆甾醇戊酸酯 is 470.41 g/mol.
Where can I buy 胆甾醇戊酸酯?
You can request a quote for 胆甾醇戊酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆甾醇戊酸酯?
Yes, KEHONG BIO provides custom synthesis services for 胆甾醇戊酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.