7M-003
TL;DR: 7M-003 (CAS 339016-51-2) is a chemical compound with molecular formula C18H12ClF3N2O2S2 and molecular weight 444.00 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-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
Also Known As: 7M-003, 2-((2-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-oxoethyl)sulfanyl)-1-pyridiniumolate, 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone, 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate, 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-2-oxoethyl]sulfanyl}-1-pyridiniumolate
| Molecular Formula | C18H12ClF3N2O2S2 |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 5.0145 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.99808 |
| Heavy Atoms | 28 |
| Complexity | 1008.49097 |
Chemical Identifiers
| CAS Number | 339016-51-2 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SCC(=O)C2=CC=C(S2)CC3=C(C=C(C=N3)C(F)(F)F)Cl)[O-] |
Product Overview
7M-003 (CAS 339016-51-2), with molecular formula C18H12ClF3N2O2S2 and molecular weight 444.00 g/mol. IUPAC: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone.
Chemical Property Profile of 7M-003
Property Insights of 7M-003
The XLogP value of 5.0145 indicates that 7M-003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, 7M-003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-003 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7M-003?
The CAS number of 7M-003 is 339016-51-2.
What is the molecular formula of 7M-003?
The molecular formula of 7M-003 is C18H12ClF3N2O2S2.
What is the molecular weight of 7M-003?
The molecular weight of 7M-003 is 444.00 g/mol.
Where can I buy 7M-003?
You can request a quote for 7M-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-003?
Yes, KEHONG BIO provides custom synthesis services for 7M-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.