Cholesteryl ibuprofen
TL;DR: Cholesteryl ibuprofen (CAS 154394-15-7) is a chemical compound with molecular formula C40H62O2 and molecular weight 574.48 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] 2-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: Cholesteryl ibuprofen, Cholest-5-en-3-yl 2-[4-(2-methylpropyl)phenyl]propanoate, [(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-[4-(2-methylpropyl)phenyl]propanoate, Cholest-5-en-3beta-yl 2-[4-(2-methylpropyl)phenyl]propanoate, 3beta-cholest-5-enyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
| Molecular Formula | C40H62O2 |
|---|---|
| Molecular Weight | 574.48 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.475 |
| Heavy Atoms | 42 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 154394-15-7 |
|---|---|
| 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)C5=CC=C(C=C5)CC(C)C)C)C |
| InChIKey | AHZNTDCNXYKGOX-UQAHCCBBSA-N |
Product Overview
Cholesteryl ibuprofen (CAS 154394-15-7), with molecular formula C40H62O2 and molecular weight 574.48 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-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of Cholesteryl ibuprofen
Property Insights of Cholesteryl ibuprofen
The XLogP value of 12.9 indicates that Cholesteryl ibuprofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl ibuprofen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl ibuprofen 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 Cholesteryl ibuprofen?
The CAS number of Cholesteryl ibuprofen is 154394-15-7.
What is the molecular formula of Cholesteryl ibuprofen?
The molecular formula of Cholesteryl ibuprofen is C40H62O2.
What is the molecular weight of Cholesteryl ibuprofen?
The molecular weight of Cholesteryl ibuprofen is 574.48 g/mol.
Where can I buy Cholesteryl ibuprofen?
You can request a quote for Cholesteryl ibuprofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl ibuprofen?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl ibuprofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.