Sulfolithocholic acid
TL;DR: Sulfolithocholic acid (CAS 64936-81-8) is a chemical compound with molecular formula C24H40O6S and molecular weight 456.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-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: Sulfolithocholic acid, lithocholic acid sulfate, lithocholic acid 3-sulfate, lithocholate-3-sulfate, Lithocholic acid, 3-sulfate
| Molecular Formula | C24H40O6S |
|---|---|
| Molecular Weight | 456.25 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.25455 |
| Heavy Atoms | 31 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 64936-81-8 |
|---|---|
| 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)OS(=O)(=O)O)C)C |
| InChIKey | AXDXVEYHEODSPN-HVATVPOCSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfolithocholic acid (CAS 64936-81-8), with molecular formula C24H40O6S and molecular weight 456.25 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of Sulfolithocholic acid
Property Insights of Sulfolithocholic acid
The XLogP value of 5.9 indicates that Sulfolithocholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfolithocholic acid. Following Lipinski's Rule of Five, Sulfolithocholic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfolithocholic acid?
The CAS number of Sulfolithocholic acid is 64936-81-8.
What is the molecular formula of Sulfolithocholic acid?
The molecular formula of Sulfolithocholic acid is C24H40O6S.
What is the molecular weight of Sulfolithocholic acid?
The molecular weight of Sulfolithocholic acid is 456.25 g/mol.
Where can I buy Sulfolithocholic acid?
You can request a quote for Sulfolithocholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfolithocholic acid?
Yes, KEHONG BIO provides custom synthesis services for Sulfolithocholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.