(E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
TL;DR: (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid (CAS 380433-49-8) is a chemical compound with molecular formula C20H17ClN4O4S3 and molecular weight 508.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid, 2-[2-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C20H17ClN4O4S3 |
|---|---|
| Molecular Weight | 508.01 g/mol |
| LogP | 4.1896 |
| Topological Polar Surface Area | 113.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 508.01004 |
| Heavy Atoms | 32 |
| Complexity | 1109.7087 |
Chemical Identifiers
| CAS Number | 380433-49-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=CC=C3OCC(=O)O)Cl |
Product Overview
(E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid (CAS 380433-49-8), with molecular formula C20H17ClN4O4S3 and molecular weight 508.01 g/mol. IUPAC: 2-[2-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
Property Insights of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
The XLogP value of 4.1896 indicates that (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The CAS number of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is 380433-49-8.
What is the molecular formula of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular formula of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is C20H17ClN4O4S3.
What is the molecular weight of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular weight of (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is 508.01 g/mol.
Where can I buy (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
You can request a quote for (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.