Trioctylmethylammonium cholate
TL;DR: Trioctylmethylammonium cholate (CAS 124536-24-9) is a chemical compound with molecular formula C49H93NO5 and molecular weight 775.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl(trioctyl)azanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Mea cholate, Trioctylmethylammonium cholate, N-Methyl-N,N-dioctyloctan-1-aminium 3,7,12-trihydroxycholan-24-oate, Cholan-24-oic acid, 3,7,12-trihydroxy-, ion(1-), (3alpha,5beta,7alpha,12alpha)-, N-methyl-N,N-dioctyl-1-octanaminium, methyl(trioctyl)azanium; (4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
| Molecular Formula | C49H93NO5 |
|---|---|
| Molecular Weight | 775.71 g/mol |
| LogP | 10.6285 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 775.7054 |
| Heavy Atoms | 55 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 124536-24-9 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C[C@H](CCC(=O)[O-])[C@@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | BTSSEYZKDFVGFN-QSPPONFGSA-M |
Product Overview
Trioctylmethylammonium cholate (CAS 124536-24-9), with molecular formula C49H93NO5 and molecular weight 775.71 g/mol. IUPAC: methyl(trioctyl)azanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Trioctylmethylammonium cholate
Property Insights of Trioctylmethylammonium cholate
The XLogP value of 10.6285 indicates that Trioctylmethylammonium cholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trioctylmethylammonium cholate. Following Lipinski's Rule of Five, Trioctylmethylammonium cholate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trioctylmethylammonium cholate?
The CAS number of Trioctylmethylammonium cholate is 124536-24-9.
What is the molecular formula of Trioctylmethylammonium cholate?
The molecular formula of Trioctylmethylammonium cholate is C49H93NO5.
What is the molecular weight of Trioctylmethylammonium cholate?
The molecular weight of Trioctylmethylammonium cholate is 775.71 g/mol.
Where can I buy Trioctylmethylammonium cholate?
You can request a quote for Trioctylmethylammonium cholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioctylmethylammonium cholate?
Yes, KEHONG BIO provides custom synthesis services for Trioctylmethylammonium cholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.