胆固醇异丁酸酯
TL;DR: 胆固醇异丁酸酯 (CAS 1180-43-4) is a chemical compound with molecular formula C31H52O2 and molecular weight 456.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆固醇异丁酸酯
[(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] 2-methylpropanoate
Also Known As: cholesterol isobutyrate, CHOLESTERYL ISOBUTYRATE, Cholesterol=isobutyrate, CHOLESTERYL ISO-BUTYRATE, Cholest-5-en-3beta-yl isobutyrate
| Molecular Formula | C31H52O2 |
|---|---|
| Molecular Weight | 456.40 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.39673 |
| Heavy Atoms | 33 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 1180-43-4 |
|---|---|
| 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)C(C)C)C)C |
| InChIKey | PUUPGXQPWDWTPH-GTPODGLVSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胆固醇异丁酸酯 (CAS 1180-43-4), with molecular formula C31H52O2 and molecular weight 456.40 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-methylpropanoate.
Chemical Property Profile of 胆固醇异丁酸酯
Property Insights of 胆固醇异丁酸酯
The XLogP value of 10.2 indicates that 胆固醇异丁酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 胆固醇异丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆固醇异丁酸酯 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 胆固醇异丁酸酯?
The CAS number of 胆固醇异丁酸酯 is 1180-43-4.
What is the molecular formula of 胆固醇异丁酸酯?
The molecular formula of 胆固醇异丁酸酯 is C31H52O2.
What is the molecular weight of 胆固醇异丁酸酯?
The molecular weight of 胆固醇异丁酸酯 is 456.40 g/mol.
Where can I buy 胆固醇异丁酸酯?
You can request a quote for 胆固醇异丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆固醇异丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇异丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.