7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid
TL;DR: 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid (CAS 134329-94-5) is a chemical compound with molecular formula C33H52O5 and molecular weight 528.3815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
Also Known As: OOOA, 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid, 4-Oxo-4-[2-(3-oxocholest-4-en-2alpha-yl)ethoxy]butanoic acid, 4-Oxo-4-[2-(3-oxocholest-4-en-2-yl)ethoxy]butanoic acid, 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C33H52O5 |
| Molecular Weight | 528.3815 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 528.3815 Da |
| Heavy Atoms | 38 |
| Complexity | 920.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)CCOC(=O)CCC(=O)O)C |
| InChIKey | SYQQWGGBOQFINV-FBWHQHKGSA-N |
Chemical Property Profile of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid
Property Insights of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid
The XLogP value of 8.2 indicates that 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid. Following Lipinski's Rule of Five, 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid?
The CAS number of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid is 134329-94-5.
What is the molecular formula of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid?
The molecular formula of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid is C33H52O5.
What is the molecular weight of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid?
The molecular weight of 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid is 528.3815 g/mol.
Where can I buy 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid?
You can request a quote for 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid?
Yes, CoreyChem provides custom synthesis services for 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.