(2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
TL;DR: (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID (CAS 613230-52-7) is a chemical compound with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Also Known As: (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID, (E)-2-(2-(((3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid, {2-[(E)-{[3-(4-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid, 2-[2-[(E)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid, 2-[2-[[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid
| Molecular Formula | C17H13ClN4O3S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 3.60669 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0397 |
| Heavy Atoms | 26 |
| Complexity | 1011.3475 |
Chemical Identifiers
| CAS Number | 613230-52-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl)OCC(=O)O |
Product Overview
(2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID (CAS 613230-52-7), with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol. IUPAC: 2-[2-[(E)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
Property Insights of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
The XLogP value of 3.60669 indicates that (2-(((3-(4-CL-PH)-5-SULFANYL-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-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID. Following Lipinski's Rule of Five, (2-(((3-(4-CL-PH)-5-SULFANYL-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-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID?
The CAS number of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID is 613230-52-7.
What is the molecular formula of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID?
The molecular formula of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID is C17H13ClN4O3S.
What is the molecular weight of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID?
The molecular weight of (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID is 388.04 g/mol.
Where can I buy (2-(((3-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID?
You can request a quote for (2-(((3-(4-CL-PH)-5-SULFANYL-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-(4-CL-PH)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID?
Yes, KEHONG BIO provides custom synthesis services for (2-(((3-(4-CL-PH)-5-SULFANYL-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.