7M-005
TL;DR: 7M-005 (CAS 339016-53-4) is a chemical compound with molecular formula C20H12ClF3N4O2S2 and molecular weight 496.00 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-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: 7M-005, 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl)sulfanyl)-1-ethanone, 1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one, 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone, 1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-2-([5-(3-PYRIDINYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)-1-ETHANONE
| Molecular Formula | C20H12ClF3N4O2S2 |
|---|---|
| Molecular Weight | 496.00 g/mol |
| LogP | 5.8261 |
| Topological Polar Surface Area | 81.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.00424 |
| Heavy Atoms | 32 |
| Complexity | 1245.1332 |
Chemical Identifiers
| CAS Number | 339016-53-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(S3)CC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7M-005 (CAS 339016-53-4), with molecular formula C20H12ClF3N4O2S2 and molecular weight 496.00 g/mol. IUPAC: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 7M-005
Property Insights of 7M-005
The XLogP value of 5.8261 indicates that 7M-005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 7M-005. Following Lipinski's Rule of Five, 7M-005 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7M-005?
The CAS number of 7M-005 is 339016-53-4.
What is the molecular formula of 7M-005?
The molecular formula of 7M-005 is C20H12ClF3N4O2S2.
What is the molecular weight of 7M-005?
The molecular weight of 7M-005 is 496.00 g/mol.
Where can I buy 7M-005?
You can request a quote for 7M-005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-005?
Yes, KEHONG BIO provides custom synthesis services for 7M-005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.