A2861/0120617
TL;DR: A2861/0120617 (CAS 330832-50-3) is a chemical compound with molecular formula C17H8F3N5O4S and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: A2861/0120617, (6Z)-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C17H8F3N5O4S |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 4.03627 |
| Topological Polar Surface Area | 125.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.0249 |
| Heavy Atoms | 30 |
| Complexity | 1180.7457 |
Chemical Identifiers
| CAS Number | 330832-50-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F)[N+](=O)[O-] |
Product Overview
A2861/0120617 (CAS 330832-50-3), with molecular formula C17H8F3N5O4S and molecular weight 435.02 g/mol. IUPAC: (6Z)-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of A2861/0120617
Property Insights of A2861/0120617
The XLogP value of 4.03627 indicates that A2861/0120617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A2861/0120617. Following Lipinski's Rule of Five, A2861/0120617 has 1 hydrogen bond donor(s) and 7 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 A2861/0120617?
The CAS number of A2861/0120617 is 330832-50-3.
What is the molecular formula of A2861/0120617?
The molecular formula of A2861/0120617 is C17H8F3N5O4S.
What is the molecular weight of A2861/0120617?
The molecular weight of A2861/0120617 is 435.02 g/mol.
Where can I buy A2861/0120617?
You can request a quote for A2861/0120617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2861/0120617?
Yes, KEHONG BIO provides custom synthesis services for A2861/0120617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.