ML194
TL;DR: ML194 (CAS 9054-63-1) is a chemical compound with molecular formula C17H19F2N5O2S and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
Also Known As: ML194, EX-A9298, CID 2745687?, ML194, >=98% (HPLC), J3.672.286J
| Molecular Formula | C17H19F2N5O2S |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 2.5336 |
| Topological Polar Surface Area | 80.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.12274 |
| Heavy Atoms | 27 |
| Complexity | 889.9343 |
Chemical Identifiers
| CAS Number | 9054-63-1 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N/N=C/C1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC |
Product Overview
ML194 (CAS 9054-63-1), with molecular formula C17H19F2N5O2S and molecular weight 395.12 g/mol. IUPAC: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate.
Chemical Property Profile of ML194
Property Insights of ML194
The XLogP value of 2.5336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ML194. The TPSA of 80.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ML194. Following Lipinski's Rule of Five, ML194 has 2 hydrogen bond donor(s) and 5 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 ML194?
The CAS number of ML194 is 9054-63-1.
What is the molecular formula of ML194?
The molecular formula of ML194 is C17H19F2N5O2S.
What is the molecular weight of ML194?
The molecular weight of ML194 is 395.12 g/mol.
Where can I buy ML194?
You can request a quote for ML194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML194?
Yes, KEHONG BIO provides custom synthesis services for ML194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.