3G-015
TL;DR: 3G-015 (CAS 338406-91-0) is a chemical compound with molecular formula C16H13ClF3N3OS and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanyl-N-(dimethylaminomethylidene)-5-(trifluoromethyl)pyridine-2-carboxamide
Also Known As: 3G-015, 3-(4-chlorophenyl)sulfanyl-N-(dimethylaminomethylidene)-5-(trifluoromethyl)pyridine-2-carboxamide, 3-[(4-chlorophenyl)sulfanyl]-N-[(dimethylamino)methylene]-5-(trifluoromethyl)-2-pyridinecarboxamide, 3-((4-Chlorophenyl)thio)-N-((dimethylamino)methylene)-5-(trifluoromethyl)picolinamide, 3-[(4-chlorophenyl)sulfanyl]-N-[(1E)-(dimethylamino)methylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
| Molecular Formula | C16H13ClF3N3OS |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 4.6351 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.042 |
| Heavy Atoms | 25 |
| Complexity | 792.2022 |
Chemical Identifiers
| CAS Number | 338406-91-0 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1=C(C=C(C=N1)C(F)(F)F)SC2=CC=C(C=C2)Cl |
Product Overview
3G-015 (CAS 338406-91-0), with molecular formula C16H13ClF3N3OS and molecular weight 387.04 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanyl-N-(dimethylaminomethylidene)-5-(trifluoromethyl)pyridine-2-carboxamide.
Chemical Property Profile of 3G-015
Property Insights of 3G-015
The XLogP value of 4.6351 indicates that 3G-015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 3G-015 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3G-015 has 0 hydrogen bond donor(s) and 3 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 3G-015?
The CAS number of 3G-015 is 338406-91-0.
What is the molecular formula of 3G-015?
The molecular formula of 3G-015 is C16H13ClF3N3OS.
What is the molecular weight of 3G-015?
The molecular weight of 3G-015 is 387.04 g/mol.
Where can I buy 3G-015?
You can request a quote for 3G-015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-015?
Yes, KEHONG BIO provides custom synthesis services for 3G-015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.