![Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate structure](/static/products/4452/445240-49-3.webp)
Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate
TL;DR: Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate (CAS 445240-49-3) is a chemical compound with molecular formula C20H21ClN2O3S2 and molecular weight 436.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate
Also Known As: butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate, butyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate, butyl 4-(3-(2-chloro-5-(methylthio)benzoyl)thioureido)benzoate, butyl 4-[({[2-chloro-5-(methylsulfanyl)phenyl]carbonyl}carbamothioyl)amino]benzoate
| Molecular Formula | C20H21ClN2O3S2 |
|---|---|
| Molecular Weight | 436.07 g/mol |
| LogP | 5.1456 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.0682 |
| Heavy Atoms | 28 |
| Complexity | 857.02936 |
Chemical Identifiers
| CAS Number | 445240-49-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)SC)Cl |
Product Overview
Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate (CAS 445240-49-3), with molecular formula C20H21ClN2O3S2 and molecular weight 436.07 g/mol. IUPAC: butyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate
Property Insights of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate
The XLogP value of 5.1456 indicates that Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate has 2 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 Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate?
The CAS number of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate is 445240-49-3.
What is the molecular formula of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate?
The molecular formula of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate is C20H21ClN2O3S2.
What is the molecular weight of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate?
The molecular weight of Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate is 436.07 g/mol.
Where can I buy Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate?
You can request a quote for Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.