cholesta-5,7,8(14),22E-tetraen-3-one
TL;DR: cholesta-5,7,8(14),22E-tetraen-3-one (CAS 126149-90-4) is a chemical compound with molecular formula C27H38O and molecular weight 378.29227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: cholesta-5,7,8(14),22E-tetraen-3-one, Cholesta-4,6,8(14),22-tetren-3-one, J1.853.991H, Cholesta-4,6,8(14),22-tetraen-3-one, (22E)-, (22E)-Cholesta-4,6,8(14),22-tetraen-3-on
Technical Specifications
| Molecular Formula | C27H38O |
| Molecular Weight | 378.29227 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.29227 Da |
| Heavy Atoms | 28 |
| Complexity | 776.0 |
| SMILES | C[C@H](/C=C/CC(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C |
| InChIKey | AJRNPFZYKICTEM-AQAVSRJYSA-N |
Chemical Property Profile of cholesta-5,7,8(14),22E-tetraen-3-one
Property Insights of cholesta-5,7,8(14),22E-tetraen-3-one
The XLogP value of 6.5 indicates that cholesta-5,7,8(14),22E-tetraen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, cholesta-5,7,8(14),22E-tetraen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cholesta-5,7,8(14),22E-tetraen-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of cholesta-5,7,8(14),22E-tetraen-3-one?
The CAS number of cholesta-5,7,8(14),22E-tetraen-3-one is 126149-90-4.
What is the molecular formula of cholesta-5,7,8(14),22E-tetraen-3-one?
The molecular formula of cholesta-5,7,8(14),22E-tetraen-3-one is C27H38O.
What is the molecular weight of cholesta-5,7,8(14),22E-tetraen-3-one?
The molecular weight of cholesta-5,7,8(14),22E-tetraen-3-one is 378.29227 g/mol.
Where can I buy cholesta-5,7,8(14),22E-tetraen-3-one?
You can request a quote for cholesta-5,7,8(14),22E-tetraen-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cholesta-5,7,8(14),22E-tetraen-3-one?
Yes, CoreyChem provides custom synthesis services for cholesta-5,7,8(14),22E-tetraen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.