Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride
TL;DR: Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride (CAS 61560-13-2) is a chemical compound with molecular formula C16H22ClN3O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate;hydrochloride
Also Known As: Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride, Propanoic acid, 2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, 2-(dimethylamino)ethyl ester, monohydrochloride, 2-(Dimethylamino)ethyl 2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}propanoate--hydrogen chloride (1/1), 2-dimethylaminoethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate hydrochloride, RefChem:374634
| Molecular Formula | C16H22ClN3O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.8849 |
| Topological Polar Surface Area | 68.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.10703 |
| Heavy Atoms | 24 |
| Complexity | 622.04004 |
Chemical Identifiers
| CAS Number | 61560-13-2 |
|---|---|
| SMILES | CC(C(=O)OCCN(C)C)SCC1=NC(=NO1)C2=CC=CC=C2.Cl |
Product Overview
Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride (CAS 61560-13-2), with molecular formula C16H22ClN3O3S and molecular weight 371.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate;hydrochloride.
Chemical Property Profile of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride
Property Insights of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride
The XLogP value of 2.8849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride. The TPSA of 68.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride. Following Lipinski's Rule of Five, Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride has 0 hydrogen bond donor(s) and 7 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 Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride?
The CAS number of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride is 61560-13-2.
What is the molecular formula of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride?
The molecular formula of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride is C16H22ClN3O3S.
What is the molecular weight of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride?
The molecular weight of Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride is 371.11 g/mol.
Where can I buy Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride?
You can request a quote for Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethylaminoethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.