(2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid
TL;DR: (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid (CAS 478253-65-5) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid
Also Known As: 2-[2-[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic Acid, (2-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID, 2-(2-(((3-Cyclohexyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenoxy)acetic acid, 2-[2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid, 2-[2-[(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 3.33399 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 821.2956 |
Chemical Identifiers
| CAS Number | 478253-65-5 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3OCC(=O)O |
Product Overview
(2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid (CAS 478253-65-5), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 2-[2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid
Property Insights of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid
The XLogP value of 3.33399 indicates that (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid has 2 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 (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid?
The CAS number of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid is 478253-65-5.
What is the molecular formula of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid?
The molecular formula of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid is C17H20N4O3S.
What is the molecular weight of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid?
The molecular weight of (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid is 360.13 g/mol.
Where can I buy (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid?
You can request a quote for (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-(((3-Cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.