RefChem:331629
TL;DR: RefChem:331629 (CAS 141283-65-0) is a chemical compound with molecular formula C12H15F3N4O4S2 and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[2-(ethylsulfonylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]carbamate
Also Known As: Carbamic acid, (((2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester, Ethyl {[2-(ethanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl}carbamate, ethyl N-[[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate, Ethyl N-[[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]thiocarbamoyl]carbamate, RefChem:331629
| Molecular Formula | C12H15F3N4O4S2 |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 2.3049 |
| Topological Polar Surface Area | 109.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.04868 |
| Heavy Atoms | 25 |
| Complexity | 753.21747 |
Chemical Identifiers
| CAS Number | 141283-65-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)CC |
Product Overview
RefChem:331629 (CAS 141283-65-0), with molecular formula C12H15F3N4O4S2 and molecular weight 400.05 g/mol. IUPAC: ethyl N-[[2-(ethylsulfonylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]carbamate.
Chemical Property Profile of RefChem:331629
Property Insights of RefChem:331629
The XLogP value of 2.3049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331629. The TPSA of 109.42 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331629. Following Lipinski's Rule of Five, RefChem:331629 has 3 hydrogen bond donor(s) and 6 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:331629?
The CAS number of RefChem:331629 is 141283-65-0.
What is the molecular formula of RefChem:331629?
The molecular formula of RefChem:331629 is C12H15F3N4O4S2.
What is the molecular weight of RefChem:331629?
The molecular weight of RefChem:331629 is 400.05 g/mol.
Where can I buy RefChem:331629?
You can request a quote for RefChem:331629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.