Bionet1_004592
TL;DR: Bionet1_004592 (CAS 551930-85-9) is a chemical compound with molecular formula C12H10ClF3N6O2 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-2-(1,2,4-triazol-1-yl)propanoate
Also Known As: Bionet1_004592, methyl 3-{(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazono}-2-(1H-1,2,4-triazol-1-yl)propanoate, methyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-2-(1,2,4-triazol-1-yl)propanoate, Methyl I+/--[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-1H-1,2,4-triazole-1-acetate
| Molecular Formula | C12H10ClF3N6O2 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.1573 |
| Topological Polar Surface Area | 94.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0506 |
| Heavy Atoms | 24 |
| Complexity | 734.8896 |
Chemical Identifiers
| CAS Number | 551930-85-9 |
|---|---|
| SMILES | COC(=O)C(C=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=NC=N2 |
Product Overview
Bionet1_004592 (CAS 551930-85-9), with molecular formula C12H10ClF3N6O2 and molecular weight 362.05 g/mol. IUPAC: methyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-2-(1,2,4-triazol-1-yl)propanoate.
Chemical Property Profile of Bionet1_004592
Property Insights of Bionet1_004592
The XLogP value of 2.1573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004592. The TPSA of 94.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004592. Following Lipinski's Rule of Five, Bionet1_004592 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 Bionet1_004592?
The CAS number of Bionet1_004592 is 551930-85-9.
What is the molecular formula of Bionet1_004592?
The molecular formula of Bionet1_004592 is C12H10ClF3N6O2.
What is the molecular weight of Bionet1_004592?
The molecular weight of Bionet1_004592 is 362.05 g/mol.
Where can I buy Bionet1_004592?
You can request a quote for Bionet1_004592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004592?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.