9G-037
TL;DR: 9G-037 (CAS 339104-40-4) is a chemical compound with molecular formula C17H15ClF3N3S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)-2-phenylethanethioamide
Also Known As: 9G-037, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]-2-phenylethanethioamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(dimethylaminomethylidene)-2-phenylethanethioamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(dimethylaminomethylidene)-2-phenyl-ethanethioamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(dimethylamino)methylidene]-2-phenylethanethioamide
| Molecular Formula | C17H15ClF3N3S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 4.803 |
| Topological Polar Surface Area | 28.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.06274 |
| Heavy Atoms | 25 |
| Complexity | 776.4527 |
Chemical Identifiers
| CAS Number | 339104-40-4 |
|---|---|
| SMILES | CN(C)C=NC(=S)C(C1=CC=CC=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
9G-037 (CAS 339104-40-4), with molecular formula C17H15ClF3N3S and molecular weight 385.06 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)-2-phenylethanethioamide.
Chemical Property Profile of 9G-037
Property Insights of 9G-037
The XLogP value of 4.803 indicates that 9G-037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.49 Ų, 9G-037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9G-037 has 0 hydrogen bond donor(s) and 2 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 9G-037?
The CAS number of 9G-037 is 339104-40-4.
What is the molecular formula of 9G-037?
The molecular formula of 9G-037 is C17H15ClF3N3S.
What is the molecular weight of 9G-037?
The molecular weight of 9G-037 is 385.06 g/mol.
Where can I buy 9G-037?
You can request a quote for 9G-037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9G-037?
Yes, KEHONG BIO provides custom synthesis services for 9G-037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.