RefChem:508662
TL;DR: RefChem:508662 (CAS 478256-61-0) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2,5-dimethoxybenzylidene)amino)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl]-5-(2-methoxyphenyl)-1,2,4-triazole -3-thiol, 4-(((E)-(2,5-Dimethoxyphenyl)methylidene)amino)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.51569 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 994.09644 |
Chemical Identifiers
| CAS Number | 478256-61-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC |
Product Overview
RefChem:508662 (CAS 478256-61-0), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508662
Property Insights of RefChem:508662
The XLogP value of 3.51569 indicates that RefChem:508662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:508662. Following Lipinski's Rule of Five, RefChem:508662 has 1 hydrogen bond donor(s) and 6 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:508662?
The CAS number of RefChem:508662 is 478256-61-0.
What is the molecular formula of RefChem:508662?
The molecular formula of RefChem:508662 is C18H18N4O3S.
What is the molecular weight of RefChem:508662?
The molecular weight of RefChem:508662 is 370.11 g/mol.
Where can I buy RefChem:508662?
You can request a quote for RefChem:508662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.