Hexadecyltributylammonium taurocholate
TL;DR: Hexadecyltributylammonium taurocholate (CAS 124536-25-0) is a chemical compound with molecular formula C54H104N2O7S and molecular weight 924.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl(hexadecyl)azanium;2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-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]pentanoyl]amino]ethanesulfonate
Also Known As: HDTAT, Hexadecyltributylammonium taurocholate, 1-Hexadecanaminium, N,N,N-tributyl-, salt with 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid (1:1), tributyl(hexadecyl)azanium; 2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-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]pentanoyl]amino]ethanesulfonate, tributyl(hexadecyl)azanium;2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-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]pentanoyl]amino]ethanesulfonate
| Molecular Formula | C54H104N2O7S |
|---|---|
| Molecular Weight | 924.76 g/mol |
| LogP | 11.7103 |
| Topological Polar Surface Area | 146.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 31 |
| Exact Mass | 924.7564 |
| Heavy Atoms | 64 |
| Complexity | 1358.9849 |
Chemical Identifiers
| CAS Number | 124536-25-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.C[C@H](CCC(=O)NCCS(=O)(=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 |
Product Overview
Hexadecyltributylammonium taurocholate (CAS 124536-25-0), with molecular formula C54H104N2O7S and molecular weight 924.76 g/mol. IUPAC: tributyl(hexadecyl)azanium;2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-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]pentanoyl]amino]ethanesulfonate.
Chemical Property Profile of Hexadecyltributylammonium taurocholate
Property Insights of Hexadecyltributylammonium taurocholate
The XLogP value of 11.7103 indicates that Hexadecyltributylammonium taurocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.99 Ų indicates high polarity, suggesting Hexadecyltributylammonium taurocholate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexadecyltributylammonium taurocholate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyltributylammonium taurocholate?
The CAS number of Hexadecyltributylammonium taurocholate is 124536-25-0.
What is the molecular formula of Hexadecyltributylammonium taurocholate?
The molecular formula of Hexadecyltributylammonium taurocholate is C54H104N2O7S.
What is the molecular weight of Hexadecyltributylammonium taurocholate?
The molecular weight of Hexadecyltributylammonium taurocholate is 924.76 g/mol.
Where can I buy Hexadecyltributylammonium taurocholate?
You can request a quote for Hexadecyltributylammonium taurocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyltributylammonium taurocholate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyltributylammonium taurocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.