7M-002
TL;DR: 7M-002 (CAS 339016-50-1) is a chemical compound with molecular formula C15H10ClF3N4OS2 and molecular weight 417.99 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-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: 7M-002, 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)-1-ethanone, 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethan-1-one, 1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)-1-ethanone
| Molecular Formula | C15H10ClF3N4OS2 |
|---|---|
| Molecular Weight | 417.99 g/mol |
| LogP | 4.4992 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.99365 |
| Heavy Atoms | 26 |
| Complexity | 912.0098 |
Chemical Identifiers
| CAS Number | 339016-50-1 |
|---|---|
| SMILES | C1=C(SC(=C1)C(=O)CSC2=NC=NN2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
7M-002 (CAS 339016-50-1), with molecular formula C15H10ClF3N4OS2 and molecular weight 417.99 g/mol. IUPAC: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 7M-002
Property Insights of 7M-002
The XLogP value of 4.4992 indicates that 7M-002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 7M-002. Following Lipinski's Rule of Five, 7M-002 has 1 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 7M-002?
The CAS number of 7M-002 is 339016-50-1.
What is the molecular formula of 7M-002?
The molecular formula of 7M-002 is C15H10ClF3N4OS2.
What is the molecular weight of 7M-002?
The molecular weight of 7M-002 is 417.99 g/mol.
Where can I buy 7M-002?
You can request a quote for 7M-002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-002?
Yes, KEHONG BIO provides custom synthesis services for 7M-002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.