![N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/7012/701231-52-9.webp)
N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 701231-52-9) is a chemical compound with molecular formula C25H29N5O2S2 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide, N-[5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide, N-(5-{2-[4-(diphenylmethyl)piperazinyl]-2-oxoethylthio}-1,3,4-thiadiazol-2-yl) butanamide, N-[5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C25H29N5O2S2 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 4.3026 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.17627 |
| Heavy Atoms | 34 |
| Complexity | 1029.6797 |
Chemical Identifiers
| CAS Number | 701231-52-9 |
|---|---|
| SMILES | CCCC(=O)NC1=NN=C(S1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 701231-52-9), with molecular formula C25H29N5O2S2 and molecular weight 495.18 g/mol. IUPAC: N-[5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 4.3026 indicates that N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-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 N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide has 1 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 N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide is 701231-52-9.
What is the molecular formula of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide is C25H29N5O2S2.
What is the molecular weight of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide is 495.18 g/mol.
Where can I buy N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-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 N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.