RefChem:442442
TL;DR: RefChem:442442 (CAS 624725-75-3) 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-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: SALOR-INT L417912-1EA, 2,3-dimethoxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazone, 2,3-Dimethoxybenzaldehyde (3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-YL)hydrazone, 4-(2-(2,3-Dimethoxybenzylidene)hydrazinyl)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-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 | 624725-75-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C(=CC=C3)OC)OC |
Product Overview
RefChem:442442 (CAS 624725-75-3), with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol. IUPAC: 4-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:442442
Property Insights of RefChem:442442
The XLogP value of 3.60119 indicates that RefChem:442442 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:442442. Following Lipinski's Rule of Five, RefChem:442442 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:442442?
The CAS number of RefChem:442442 is 624725-75-3.
What is the molecular formula of RefChem:442442?
The molecular formula of RefChem:442442 is C19H21N5O3S.
What is the molecular weight of RefChem:442442?
The molecular weight of RefChem:442442 is 399.14 g/mol.
Where can I buy RefChem:442442?
You can request a quote for RefChem:442442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:442442?
Yes, KEHONG BIO provides custom synthesis services for RefChem:442442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.