4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
TL;DR: 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 714945-33-2) is a chemical compound with molecular formula C29H37N5O3S and molecular weight 535.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
Also Known As: 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide, 4-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-N-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide, 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide, 4-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
| Molecular Formula | C29H37N5O3S |
|---|---|
| Molecular Weight | 535.26 g/mol |
| LogP | 4.4057 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 535.2617 |
| Heavy Atoms | 38 |
| Complexity | 1107.7899 |
Chemical Identifiers
| CAS Number | 714945-33-2 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 714945-33-2), with molecular formula C29H37N5O3S and molecular weight 535.26 g/mol. IUPAC: 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.
Chemical Property Profile of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
Property Insights of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
The XLogP value of 4.4057 indicates that 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has 1 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 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The CAS number of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 714945-33-2.
What is the molecular formula of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular formula of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is C29H37N5O3S.
What is the molecular weight of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular weight of 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 535.26 g/mol.
Where can I buy 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
You can request a quote for 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(2-(benzhydryloxy)ethyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.