4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE
TL;DR: 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE (CAS 613247-18-0) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate
Also Known As: 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE, (E)-4-(((3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate, [4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate, 4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}-2-methoxyphenyl acetate
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.80449 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 865.5614 |
Chemical Identifiers
| CAS Number | 613247-18-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3CCCCC3)OC |
Product Overview
4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE (CAS 613247-18-0), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: [4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE
Property Insights of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE
The XLogP value of 3.80449 indicates that 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE. Following Lipinski's Rule of Five, 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE has 1 hydrogen bond donor(s) and 6 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-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE?
The CAS number of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE is 613247-18-0.
What is the molecular formula of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE?
The molecular formula of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE is C18H22N4O3S.
What is the molecular weight of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE?
The molecular weight of 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE is 374.14 g/mol.
Where can I buy 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE?
You can request a quote for 4-(((3-CYCLOHEXYL-5-MERCAPTO-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-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-CYCLOHEXYL-5-MERCAPTO-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.