Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-
TL;DR: Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- (CAS 139617-46-2) is a chemical compound with molecular formula C22H25N3OS and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone
Also Known As: Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-, J1.243.772B, 1-(4,5-Dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)ethanone, 5-acetyl-3-phenyl-2-benzyl-2-piperidyl-1,3,4-thiadiazoline, 1-(5-Benzyl-4-phenyl-5-(piperidin-1-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone
| Molecular Formula | C22H25N3OS |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 4.5247 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.17184 |
| Heavy Atoms | 27 |
| Complexity | 817.96625 |
Chemical Identifiers
| CAS Number | 139617-46-2 |
|---|---|
| SMILES | CC(=O)C1=NN(C(S1)(CC2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4 |
Product Overview
Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- (CAS 139617-46-2), with molecular formula C22H25N3OS and molecular weight 379.17 g/mol. IUPAC: 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-
Property Insights of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-
The XLogP value of 4.5247 indicates that Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- has 0 hydrogen bond donor(s) and 5 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 Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-?
The CAS number of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- is 139617-46-2.
What is the molecular formula of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-?
The molecular formula of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- is C22H25N3OS.
What is the molecular weight of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-?
The molecular weight of Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- is 379.17 g/mol.
Where can I buy Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-?
You can request a quote for Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.