002-04-KK
TL;DR: 002-04-KK (CAS 375835-18-0) is a chemical compound with molecular formula C11H5F3N4O2S and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-(furan-2-ylmethylidene)-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 002-04-KK, (6E)-6-(furan-2-ylmethylidene)-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-(furan-2-ylmethylidene)-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-6-(furan-2-ylmethylene)-5-imino-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 6-(Furan-2-ylmethylene)-5-imino-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C11H5F3N4O2S |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 2.46107 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.00854 |
| Heavy Atoms | 21 |
| Complexity | 718.32684 |
Chemical Identifiers
| CAS Number | 375835-18-0 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C(F)(F)F |
Product Overview
002-04-KK (CAS 375835-18-0), with molecular formula C11H5F3N4O2S and molecular weight 314.01 g/mol. IUPAC: (6E)-6-(furan-2-ylmethylidene)-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 002-04-KK
Property Insights of 002-04-KK
The XLogP value of 2.46107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 002-04-KK. The TPSA of 82.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 002-04-KK. Following Lipinski's Rule of Five, 002-04-KK has 1 hydrogen bond donor(s) and 5 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 002-04-KK?
The CAS number of 002-04-KK is 375835-18-0.
What is the molecular formula of 002-04-KK?
The molecular formula of 002-04-KK is C11H5F3N4O2S.
What is the molecular weight of 002-04-KK?
The molecular weight of 002-04-KK is 314.01 g/mol.
Where can I buy 002-04-KK?
You can request a quote for 002-04-KK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 002-04-KK?
Yes, KEHONG BIO provides custom synthesis services for 002-04-KK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.