4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate
TL;DR: 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate (CAS 497823-97-9) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
Also Known As: 4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE, 2-Methoxy-4-(((3-(pyridin-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenyl acetate, (E)-4-(((3-mercapto-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate, [2-methoxy-4-[(E)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate, 2-methoxy-4-[(E)-{[3-(pyridin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.81879 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 1010.73785 |
Chemical Identifiers
| CAS Number | 497823-97-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)OC |
Product Overview
4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate (CAS 497823-97-9), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: [2-methoxy-4-[(E)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate.
Chemical Property Profile of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate
Property Insights of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate
The XLogP value of 2.81879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate. Following Lipinski's Rule of Five, 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate 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 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate?
The CAS number of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate is 497823-97-9.
What is the molecular formula of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate?
The molecular formula of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate is C17H15N5O3S.
What is the molecular weight of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate?
The molecular weight of 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate is 369.09 g/mol.
Where can I buy 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate?
You can request a quote for 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-PH acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.