![2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide structure](/static/products/3479/347910-13-8.webp)
2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide
TL;DR: 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide (CAS 347910-13-8) is a chemical compound with molecular formula C20H20BrN5O3S and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
Also Known As: 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide, 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
| Molecular Formula | C20H20BrN5O3S |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 3.5042 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.04703 |
| Heavy Atoms | 30 |
| Complexity | 1053.0956 |
Chemical Identifiers
| CAS Number | 347910-13-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Br |
Product Overview
2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide (CAS 347910-13-8), with molecular formula C20H20BrN5O3S and molecular weight 489.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide
Property Insights of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide
The XLogP value of 3.5042 indicates that 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide. Following Lipinski's Rule of Five, 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide 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 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide?
The CAS number of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide is 347910-13-8.
What is the molecular formula of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide?
The molecular formula of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide is C20H20BrN5O3S.
What is the molecular weight of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide?
The molecular weight of 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide is 489.05 g/mol.
Where can I buy 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide?
You can request a quote for 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(3,4-dimethoxyphenyl)methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.