3F-1,2,4-triazine derv.
TL;DR: 3F-1,2,4-triazine derv. (CAS 135086-97-4) is a chemical compound with molecular formula C21H27F3N8O2S and molecular weight 512.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]acetamide
Also Known As: 3F-1,2,4-triazine derv., NCI60_006881, Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl)phenyl)-, 2,4-Di(piperazinylmethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-one, 2,2,2-trifluoro-N-(2-{5-oxo-2,4-bis[(piperazin-1-yl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}phenyl)acetamide
| Molecular Formula | C21H27F3N8O2S |
|---|---|
| Molecular Weight | 512.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.193 |
| Heavy Atoms | 35 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 135086-97-4 |
|---|---|
| SMILES | C1CN(CCN1)CN2C(=O)C(=NN(C2=S)CN3CCNCC3)C4=CC=CC=C4NC(=O)C(F)(F)F |
| InChIKey | OHPXJIBYAMBDJM-UHFFFAOYSA-N |
Product Overview
3F-1,2,4-triazine derv. (CAS 135086-97-4), with molecular formula C21H27F3N8O2S and molecular weight 512.19 g/mol. IUPAC: 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]acetamide.
Chemical Property Profile of 3F-1,2,4-triazine derv.
Property Insights of 3F-1,2,4-triazine derv.
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3F-1,2,4-triazine derv.. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3F-1,2,4-triazine derv.. Following Lipinski's Rule of Five, 3F-1,2,4-triazine derv. has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3F-1,2,4-triazine derv.?
The CAS number of 3F-1,2,4-triazine derv. is 135086-97-4.
What is the molecular formula of 3F-1,2,4-triazine derv.?
The molecular formula of 3F-1,2,4-triazine derv. is C21H27F3N8O2S.
What is the molecular weight of 3F-1,2,4-triazine derv.?
The molecular weight of 3F-1,2,4-triazine derv. is 512.19 g/mol.
Where can I buy 3F-1,2,4-triazine derv.?
You can request a quote for 3F-1,2,4-triazine derv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3F-1,2,4-triazine derv.?
Yes, KEHONG BIO provides custom synthesis services for 3F-1,2,4-triazine derv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.