RefChem:444466
TL;DR: RefChem:444466 (CAS 624725-76-4) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 2,5-dimethoxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazone, 4-(2-(2,5-Dimethoxybenzylidene)hydrazinyl)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 2,5-DIMETHOXYBENZALDEHYDE (3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)HYDRAZONE, 4-[(2E)-2-(2,5-dimethoxybenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 3.60119 |
| Topological Polar Surface Area | 85.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 1011.15375 |
Chemical Identifiers
| CAS Number | 624725-76-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C=CC(=C3)OC)OC |
Product Overview
RefChem:444466 (CAS 624725-76-4), with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol. IUPAC: 4-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:444466
Property Insights of RefChem:444466
The XLogP value of 3.60119 indicates that RefChem:444466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.69 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:444466. Following Lipinski's Rule of Five, RefChem:444466 has 2 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 RefChem:444466?
The CAS number of RefChem:444466 is 624725-76-4.
What is the molecular formula of RefChem:444466?
The molecular formula of RefChem:444466 is C19H21N5O3S.
What is the molecular weight of RefChem:444466?
The molecular weight of RefChem:444466 is 399.14 g/mol.
Where can I buy RefChem:444466?
You can request a quote for RefChem:444466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:444466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:444466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.