2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 532953-65-4) is a chemical compound with molecular formula C21H21ClN4O2S2 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2-chloro-N-[5-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 2-chloro-N-[5-[(2,6-diethylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, 2-chloro-N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 2-chloro-N-[(2Z)-5-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C21H21ClN4O2S2 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 5.2994 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.07944 |
| Heavy Atoms | 30 |
| Complexity | 1032.7406 |
Chemical Identifiers
| CAS Number | 532953-65-4 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 532953-65-4), with molecular formula C21H21ClN4O2S2 and molecular weight 460.08 g/mol. IUPAC: 2-chloro-N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.2994 indicates that 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide 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 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide 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 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 532953-65-4.
What is the molecular formula of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C21H21ClN4O2S2.
What is the molecular weight of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 460.08 g/mol.
Where can I buy 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-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 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(5-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.