(E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 488727-33-9) is a chemical compound with molecular formula C27H17Cl2N5OS and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide, N-[(2E)-5-{(E)-1-cyano-2-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]ethenyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide, N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide, N-[5-[1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C27H17Cl2N5OS |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 7.16438 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.0531 |
| Heavy Atoms | 36 |
| Complexity | 1650.0288 |
Chemical Identifiers
| CAS Number | 488727-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C(=C/C3=CN(C4=CC=CC=C43)CC5=C(C=C(C=C5)Cl)Cl)/C#N |
Product Overview
(E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 488727-33-9), with molecular formula C27H17Cl2N5OS and molecular weight 529.05 g/mol. IUPAC: N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 7.16438 indicates that (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-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)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide is 488727-33-9.
What is the molecular formula of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide is C27H17Cl2N5OS.
What is the molecular weight of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide is 529.05 g/mol.
Where can I buy (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-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)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(5-(1-cyano-2-(1-(2,4-dichlorobenzyl)-1H-indol-3-yl)vinyl)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.