胆固醇4-(3'-芘基)丁酸酯
TL;DR: 胆固醇4-(3'-芘基)丁酸酯 (CAS 76081-97-5) is a chemical compound with molecular formula C47H60O2 and molecular weight 656.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆固醇4-(3'-芘基)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] 4-pyren-1-ylbutanoate
Also Known As: Cholesteryl 4-(3'-pyrenyl)butanoate, cholesteryl 1-pyrenebutyrate, Cholest-5-en-3-ol (3beta)-, 1-pyrenebutanoate, 1-Pyrenebutanoic acid 3beta-cholesteryl ester, Cholest-5-en-3-yl 4-(pyren-1-yl)butanoate
| Molecular Formula | C47H60O2 |
|---|---|
| Molecular Weight | 656.46 g/mol |
| LogP | 14.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 656.45935 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 76081-97-5 |
|---|---|
| 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)CCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C |
| InChIKey | XYRDCRBGCDIMBH-ZMFSBRCCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胆固醇4-(3'-芘基)丁酸酯 (CAS 76081-97-5), with molecular formula C47H60O2 and molecular weight 656.46 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] 4-pyren-1-ylbutanoate.
Chemical Property Profile of 胆固醇4-(3'-芘基)丁酸酯
Property Insights of 胆固醇4-(3'-芘基)丁酸酯
The XLogP value of 14.5 indicates that 胆固醇4-(3'-芘基)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4-(3'-芘基)丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆固醇4-(3'-芘基)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4-(3'-芘基)丁酸酯?
The CAS number of 胆固醇4-(3'-芘基)丁酸酯 is 76081-97-5.
What is the molecular formula of 胆固醇4-(3'-芘基)丁酸酯?
The molecular formula of 胆固醇4-(3'-芘基)丁酸酯 is C47H60O2.
What is the molecular weight of 胆固醇4-(3'-芘基)丁酸酯?
The molecular weight of 胆固醇4-(3'-芘基)丁酸酯 is 656.46 g/mol.
Where can I buy 胆固醇4-(3'-芘基)丁酸酯?
You can request a quote for 胆固醇4-(3'-芘基)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4-(3'-芘基)丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇4-(3'-芘基)丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.