CDS1_003159
TL;DR: CDS1_003159 (CAS 312601-76-6) is a chemical compound with molecular formula C13H14N6O and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine
Also Known As: CDS1_003159, 2-{(1E)-2-[3-(3,5-dimethylpyrazolyl)-5-methyl(1,2,4-triazol-4-yl)]-2-azavinyl} furan, (E)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(furan-2-ylmethylene)-5-methyl-4H-1,2,4-triazol-4-amine, (E)-N-[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL]-1-(FURAN-2-YL)METHANIMINE, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(E)-furan-2-ylmethylidene]-5-methyl-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H14N6O |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 1.86426 |
| Topological Polar Surface Area | 74.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.1229 |
| Heavy Atoms | 20 |
| Complexity | 750.0232 |
Chemical Identifiers
| CAS Number | 312601-76-6 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NN=C(N2/N=C/C3=CC=CO3)C)C |
Product Overview
CDS1_003159 (CAS 312601-76-6), with molecular formula C13H14N6O and molecular weight 270.12 g/mol. IUPAC: (E)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine.
Chemical Property Profile of CDS1_003159
Property Insights of CDS1_003159
The XLogP value of 1.86426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_003159. The TPSA of 74.03 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003159. Following Lipinski's Rule of Five, CDS1_003159 has 0 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 CDS1_003159?
The CAS number of CDS1_003159 is 312601-76-6.
What is the molecular formula of CDS1_003159?
The molecular formula of CDS1_003159 is C13H14N6O.
What is the molecular weight of CDS1_003159?
The molecular weight of CDS1_003159 is 270.12 g/mol.
Where can I buy CDS1_003159?
You can request a quote for CDS1_003159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003159?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.