Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
TL;DR: Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate (CAS 61560-16-5) is a chemical compound with molecular formula C18H27N3O6S and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
Also Known As: Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate, Propanoic acid, 2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, (+-)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid, 2-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}propanoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), RefChem:374633
| Molecular Formula | C18H27N3O6S |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 0.7082 |
| Topological Polar Surface Area | 140.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 413.16205 |
| Heavy Atoms | 28 |
| Complexity | 656.0857 |
Chemical Identifiers
| CAS Number | 61560-16-5 |
|---|---|
| SMILES | CC(C(=O)O)SCC1=NC(=NO1)C2=CC=CC=C2.C(CO)N(CCO)CCO |
Product Overview
Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate (CAS 61560-16-5), with molecular formula C18H27N3O6S and molecular weight 413.16 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
Property Insights of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
The XLogP value of 0.7082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate. The TPSA of 140.15 Ų indicates high polarity, suggesting Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The CAS number of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is 61560-16-5.
What is the molecular formula of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The molecular formula of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is C18H27N3O6S.
What is the molecular weight of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The molecular weight of Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is 413.16 g/mol.
Where can I buy Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
You can request a quote for Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
Yes, KEHONG BIO provides custom synthesis services for Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.