7-Ketodeoxycholic acid
TL;DR: 7-Ketodeoxycholic acid (CAS 911-40-0) is a chemical compound with molecular formula C24H38O5 and molecular weight 406.2719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: 7-Ketodeoxycholic acid, 7-Cheto-deoxycholic acid, 3,12-Dihydroxy-7-oxocholan-24-oic acid, 7-Keto-3a,12-a-dihydroxycholanic Acid, A-Cholanic Acid-3
Technical Specifications
| Molecular Formula | C24H38O5 |
| Molecular Weight | 406.2719 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.2719 Da |
| Heavy Atoms | 29 |
| Complexity | 676.0 |
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C |
| InChIKey | RHCPKKNRWFXMAT-UHFFFAOYSA-N |
Product Description
Applications: 7-Ketodeoxycholic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
7-Ketodeoxycholic acid is a fine chemical identified by CAS number 911-40-0 and the molecular formula C24H38O5 and a molecular weight of 406.27 g/mol. Synonyms include 7-Ketodeoxycholic acid and 7-Cheto-deoxycholic 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 7-Ketodeoxycholic acid
Property Insights of 7-Ketodeoxycholic acid
The XLogP value of 3.3 indicates that 7-Ketodeoxycholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ketodeoxycholic acid. Following Lipinski's Rule of Five, 7-Ketodeoxycholic acid has 3 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 7-Ketodeoxycholic acid?
The CAS number of 7-Ketodeoxycholic acid is 911-40-0.
What is the molecular formula of 7-Ketodeoxycholic acid?
The molecular formula of 7-Ketodeoxycholic acid is C24H38O5.
What is the molecular weight of 7-Ketodeoxycholic acid?
The molecular weight of 7-Ketodeoxycholic acid is 406.2719 g/mol.
What are the applications of 7-Ketodeoxycholic acid?
7-Ketodeoxycholic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 7-Ketodeoxycholic acid?
You can request a quote for 7-Ketodeoxycholic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Ketodeoxycholic acid?
Yes, CoreyChem provides custom synthesis services for 7-Ketodeoxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.