(E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 714240-29-6) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide, 4-tert-butyl-N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide, 4-tert-butyl-N-[(2Z)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 5.2669 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 968.2665 |
Chemical Identifiers
| CAS Number | 714240-29-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C=C/C3=CC=C(C=C3)OC |
Product Overview
(E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 714240-29-6), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 4-tert-butyl-N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.2669 indicates that (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide is 714240-29-6.
What is the molecular formula of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide is C22H23N3O2S.
What is the molecular weight of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide is 393.15 g/mol.
Where can I buy (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(tert-butyl)-N-(5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.