4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CAS 713094-37-2) is a chemical compound with molecular formula C26H30ClN5O2S and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Also Known As: 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide, 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide, 4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
| Molecular Formula | C26H30ClN5O2S |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 4.7965 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.18088 |
| Heavy Atoms | 35 |
| Complexity | 1114.2855 |
Chemical Identifiers
| CAS Number | 713094-37-2 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CAS 713094-37-2), with molecular formula C26H30ClN5O2S and molecular weight 511.18 g/mol. IUPAC: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
Chemical Property Profile of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 4.7965 indicates that 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 6 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-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is 713094-37-2.
What is the molecular formula of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is C26H30ClN5O2S.
What is the molecular weight of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is 511.18 g/mol.
Where can I buy 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.