7M-001
TL;DR: 7M-001 (CAS 339016-49-8) is a chemical compound with molecular formula C21H13ClF3N3OS2 and molecular weight 479.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanylethanone
Also Known As: 7M-001, 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanylethanone, 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-(2-quinoxalinylsulfanyl)-1-ethanone, 1-(5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thiophen-2-yl)-2-(quinoxalin-2-ylthio)ethan-1-one, 1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-2-(2-quinoxalinylsulfanyl)-1-ethanone
| Molecular Formula | C21H13ClF3N3OS2 |
|---|---|
| Molecular Weight | 479.01 g/mol |
| LogP | 6.3243 |
| Topological Polar Surface Area | 55.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.01407 |
| Heavy Atoms | 31 |
| Complexity | 1260.0878 |
Chemical Identifiers
| CAS Number | 339016-49-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)C3=CC=C(S3)CC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7M-001 (CAS 339016-49-8), with molecular formula C21H13ClF3N3OS2 and molecular weight 479.01 g/mol. IUPAC: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanylethanone.
Chemical Property Profile of 7M-001
Property Insights of 7M-001
The XLogP value of 6.3243 indicates that 7M-001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.74 Ų, 7M-001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7M-001?
The CAS number of 7M-001 is 339016-49-8.
What is the molecular formula of 7M-001?
The molecular formula of 7M-001 is C21H13ClF3N3OS2.
What is the molecular weight of 7M-001?
The molecular weight of 7M-001 is 479.01 g/mol.
Where can I buy 7M-001?
You can request a quote for 7M-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-001?
Yes, KEHONG BIO provides custom synthesis services for 7M-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.