(E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide
TL;DR: (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide (CAS 477215-71-7) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: F0529-1185, (2E)-N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide, (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide, (E)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 4.4995 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 958.3396 |
Chemical Identifiers
| CAS Number | 477215-71-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC |
Product Overview
(E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide (CAS 477215-71-7), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: (E)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide
Property Insights of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide
The XLogP value of 4.4995 indicates that (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide. Following Lipinski's Rule of Five, (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide 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 (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The CAS number of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide is 477215-71-7.
What is the molecular formula of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The molecular formula of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide is C20H19N3O3S2.
What is the molecular weight of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The molecular weight of (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide is 413.09 g/mol.
Where can I buy (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
You can request a quote for (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.