Lithocholic Acid
TL;DR: Lithocholic Acid (CAS 434-13-9) is a chemical compound with molecular formula C24H40O3 and molecular weight 376.29776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: LITHOCHOLIC ACID, Lithocolic acid, Lithocholate, 3alpha-Hydroxy-5beta-cholanic acid, Litocholic acid
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H40O3 |
| Molecular Weight | 376.29776 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.29776 Da |
| Heavy Atoms | 27 |
| Complexity | 574.0 |
| Melting Point | 363 to 367 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 67.5 °F (NTP, 1992) |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | SMEROWZSTRWXGI-HVATVPOCSA-N |
Product Description
Applications: Lithocholic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Lithocholic Acid is a pharmaceutical intermediate identified by CAS number 434-13-9 and the molecular formula C24H40O3 and a molecular weight of 376.3 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 67.5 °F (NTP, 1992). Synonyms include LITHOCHOLIC ACID and Lithocolic 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 Lithocholic Acid
Property Insights of Lithocholic Acid
The XLogP value of 6.3 indicates that Lithocholic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Lithocholic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lithocholic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Lithocholic Acid?
The CAS number of Lithocholic Acid is 434-13-9.
What is the molecular formula of Lithocholic Acid?
The molecular formula of Lithocholic Acid is C24H40O3.
What is the molecular weight of Lithocholic Acid?
The molecular weight of Lithocholic Acid is 376.29776 g/mol.
What are the applications of Lithocholic Acid?
Lithocholic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Lithocholic Acid?
You can request a quote for Lithocholic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lithocholic Acid?
Yes, CoreyChem provides custom synthesis services for Lithocholic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.