N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
TL;DR: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CAS 129504-36-5) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
Also Known As: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.8453 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1049.6202 |
Chemical Identifiers
| CAS Number | 129504-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CAS 129504-36-5), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
Chemical Property Profile of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
Property Insights of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
The XLogP value of 3.8453 indicates that N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide. Following Lipinski's Rule of Five, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-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-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The CAS number of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide is 129504-36-5.
What is the molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide is C21H18N4O3S2.
What is the molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide is 438.08 g/mol.
Where can I buy N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
You can request a quote for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-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-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.