RefChem:332768
TL;DR: RefChem:332768 (CAS 128433-36-3) is a chemical compound with molecular formula C17H16Cl3N3O2S and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl] carbamimidothioate;hydrochloride
Also Known As: N-Methyl-2'-orthochlorobenzoyl-4'-chloro-2-isothioureidoacetanilide hydrochloride, Carbamimidothioic acid, 2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl ester,monohydrochloride, [2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl] carbamimidothioate hydrochloride, 2-{[4-Chloro-2-(2-chlorobenzoyl)phenyl](methyl)amino}-2-oxoethyl carbamimidothioate--hydrogen chloride (1/1), RefChem:332768
| Molecular Formula | C17H16Cl3N3O2S |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 4.23567 |
| Topological Polar Surface Area | 87.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.00287 |
| Heavy Atoms | 26 |
| Complexity | 845.75287 |
Chemical Identifiers
| CAS Number | 128433-36-3 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CSC(=N)N.Cl |
Product Overview
RefChem:332768 (CAS 128433-36-3), with molecular formula C17H16Cl3N3O2S and molecular weight 431.00 g/mol. IUPAC: [2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl] carbamimidothioate;hydrochloride.
Chemical Property Profile of RefChem:332768
Property Insights of RefChem:332768
The XLogP value of 4.23567 indicates that RefChem:332768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332768. Following Lipinski's Rule of Five, RefChem:332768 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332768?
The CAS number of RefChem:332768 is 128433-36-3.
What is the molecular formula of RefChem:332768?
The molecular formula of RefChem:332768 is C17H16Cl3N3O2S.
What is the molecular weight of RefChem:332768?
The molecular weight of RefChem:332768 is 431.00 g/mol.
Where can I buy RefChem:332768?
You can request a quote for RefChem:332768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332768?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.