C16H13F2N11O2S
TL;DR: C16H13F2N11O2S (CAS 849035-18-3) is a chemical compound with molecular formula C16H13F2N11O2S and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,5-difluorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-difluorobenzylidene)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-difluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C16H13F2N11O2S |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 0.6954 |
| Topological Polar Surface Area | 167.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.09424 |
| Heavy Atoms | 32 |
| Complexity | 1298.8927 |
Chemical Identifiers
| CAS Number | 849035-18-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CC(=C4)F)F |
Product Overview
C16H13F2N11O2S (CAS 849035-18-3), with molecular formula C16H13F2N11O2S and molecular weight 461.09 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,5-difluorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C16H13F2N11O2S
Property Insights of C16H13F2N11O2S
The XLogP value of 0.6954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H13F2N11O2S. The TPSA of 167.82 Ų indicates high polarity, suggesting C16H13F2N11O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H13F2N11O2S has 2 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 C16H13F2N11O2S?
The CAS number of C16H13F2N11O2S is 849035-18-3.
What is the molecular formula of C16H13F2N11O2S?
The molecular formula of C16H13F2N11O2S is C16H13F2N11O2S.
What is the molecular weight of C16H13F2N11O2S?
The molecular weight of C16H13F2N11O2S is 461.09 g/mol.
Where can I buy C16H13F2N11O2S?
You can request a quote for C16H13F2N11O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13F2N11O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H13F2N11O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.