Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)
TL;DR: Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) (CAS 152190-84-6) is a chemical compound with molecular formula C32H58N4O8S and molecular weight 658.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate;propanedioic acid
Also Known As: Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1), Methyl 3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate, [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate, [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate,propanedioic acid, [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate; propanedioic acid
| Molecular Formula | C32H58N4O8S |
|---|---|
| Molecular Weight | 658.40 g/mol |
| LogP | 6.0804 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Exact Mass | 658.3975 |
| Heavy Atoms | 45 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 152190-84-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H](CNC(C)(C)C)COC1=NSN=C1N2CCOCC2.C(C(=O)O)C(=O)O |
| InChIKey | FTQMPANKIVAFHY-UQIIZPHYSA-N |
Product Overview
Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) (CAS 152190-84-6), with molecular formula C32H58N4O8S and molecular weight 658.40 g/mol. IUPAC: [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate;propanedioic acid.
Chemical Property Profile of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)
Property Insights of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)
The XLogP value of 6.0804 indicates that Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)?
The CAS number of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) is 152190-84-6.
What is the molecular formula of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)?
The molecular formula of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) is C32H58N4O8S.
What is the molecular weight of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)?
The molecular weight of Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) is 658.40 g/mol.
Where can I buy Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)?
You can request a quote for Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, (1S)-1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, propanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.