N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
TL;DR: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide (CAS 713089-71-5) is a chemical compound with molecular formula C22H28N6O4S and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
Also Known As: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide, N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide, N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide, N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
| Molecular Formula | C22H28N6O4S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 3.5615 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.18927 |
| Heavy Atoms | 33 |
| Complexity | 981.0272 |
Chemical Identifiers
| CAS Number | 713089-71-5 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide (CAS 713089-71-5), with molecular formula C22H28N6O4S and molecular weight 472.19 g/mol. IUPAC: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide.
Chemical Property Profile of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
Property Insights of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
The XLogP value of 3.5615 indicates that N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide has 1 hydrogen bond donor(s) and 8 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 N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The CAS number of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is 713089-71-5.
What is the molecular formula of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The molecular formula of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is C22H28N6O4S.
What is the molecular weight of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The molecular weight of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is 472.19 g/mol.
Where can I buy N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
You can request a quote for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-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 N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.