(E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide
TL;DR: (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide (CAS 532409-52-2) is a chemical compound with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
Also Known As: (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide, N-(4-chlorophenyl)-2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide, N-(4-chlorophenyl)-2-[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide, N-(4-chlorophenyl)-2-[[5-(3-phenylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide, N-(4-chlorophenyl)-2-{[(5Z)-5-{[(2E)-3-phenylprop-2-enoyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}butanamide
| Molecular Formula | C21H19ClN4O2S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 5.3528 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.06378 |
| Heavy Atoms | 30 |
| Complexity | 1023.0003 |
Chemical Identifiers
| CAS Number | 532409-52-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
(E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide (CAS 532409-52-2), with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide.
Chemical Property Profile of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide
Property Insights of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide
The XLogP value of 5.3528 indicates that (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide. Following Lipinski's Rule of Five, (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide has 2 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 (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide?
The CAS number of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide is 532409-52-2.
What is the molecular formula of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide?
The molecular formula of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide is C21H19ClN4O2S2.
What is the molecular weight of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide?
The molecular weight of (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide is 458.06 g/mol.
Where can I buy (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide?
You can request a quote for (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-chlorophenyl)-2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.