3,7,12-Trioxocholan-24-oic acid
TL;DR: 3,7,12-Trioxocholan-24-oic acid (CAS 81-23-2) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: dehydrocholic acid, 3,7,12-Trioxocholan-24-oic acid, Maybridge3_002984, Purified dehydrocholic acid, cholan-24-oic acid, 3,7,12-trioxo-
Technical Specifications
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.24063 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.24063 Da |
| Heavy Atoms | 29 |
| Complexity | 756.0 |
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | OHXPGWPVLFPUSM-UHFFFAOYSA-N |
Product Description
Applications: 3,7,12-Trioxocholan-24-oic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,7,12-Trioxocholan-24-oic acid (CAS 81-23-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,7,12-Trioxocholan-24-oic acid (CAS 81-23-2) is a fine chemical with the molecular formula C24H34O5 and a molecular weight of 402.24 g/mol. It is also known as dehydrocholic acid and 3,7,12-Trioxocholan-24-oic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,7,12-Trioxocholan-24-oic acid
Property Insights of 3,7,12-Trioxocholan-24-oic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,12-Trioxocholan-24-oic acid. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12-Trioxocholan-24-oic acid. Following Lipinski's Rule of Five, 3,7,12-Trioxocholan-24-oic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,7,12-Trioxocholan-24-oic acid?
The CAS number of 3,7,12-Trioxocholan-24-oic acid is 81-23-2.
What is the molecular formula of 3,7,12-Trioxocholan-24-oic acid?
The molecular formula of 3,7,12-Trioxocholan-24-oic acid is C24H34O5.
What is the molecular weight of 3,7,12-Trioxocholan-24-oic acid?
The molecular weight of 3,7,12-Trioxocholan-24-oic acid is 402.24063 g/mol.
What are the applications of 3,7,12-Trioxocholan-24-oic acid?
3,7,12-Trioxocholan-24-oic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,7,12-Trioxocholan-24-oic acid (CAS 81-23-2) with custom synthesis available from milligram to multi-kilogram scale,...
Where can I buy 3,7,12-Trioxocholan-24-oic acid?
You can request a quote for 3,7,12-Trioxocholan-24-oic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7,12-Trioxocholan-24-oic acid?
Yes, CoreyChem provides custom synthesis services for 3,7,12-Trioxocholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.