Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-
TL;DR: Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- (CAS 76870-16-1) is a chemical compound with molecular formula C28H36ClN3O2S and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexylacetamide
Also Known As: Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-, 2-(4-((((4-(Chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexylacetamide, 2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexylacetamide, 2-[4-({[4-(Chloromethyl)phenyl]carbamothioyl}amino)phenoxy]-N,N-dicyclohexylacetamide, Acetamide,2-[4-[[[[4-(chloromethyl)phenyl]amino]thioxomethyl]amino]phenoxy]-N,N-dicyclohexyl-
| Molecular Formula | C28H36ClN3O2S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 7.1071 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.2217 |
| Heavy Atoms | 35 |
| Complexity | 937.1726 |
Chemical Identifiers
| CAS Number | 76870-16-1 |
|---|---|
| SMILES | C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)CCl |
Product Overview
Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- (CAS 76870-16-1), with molecular formula C28H36ClN3O2S and molecular weight 513.22 g/mol. IUPAC: 2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexylacetamide.
Chemical Property Profile of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-
Property Insights of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-
The XLogP value of 7.1071 indicates that Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-?
The CAS number of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- is 76870-16-1.
What is the molecular formula of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-?
The molecular formula of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- is C28H36ClN3O2S.
What is the molecular weight of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-?
The molecular weight of Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- is 513.22 g/mol.
Where can I buy Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-?
You can request a quote for Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.