RefChem:529994
TL;DR: RefChem:529994 (CAS 478255-85-5) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-METHYLPHENYL)-4-{[(E)-(2,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-5-(m-tolyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,4,5-trimethoxyphenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triazo le-3-thiol, 5-(3-METHYLPHENYL)-4-(((E)-(2,4,5-TRIMETHOXYPHENYL)METHYLIDENE)AMINO)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 5-(3-methylphenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 3.82411 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 1039.6743 |
Chemical Identifiers
| CAS Number | 478255-85-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3OC)OC)OC |
Product Overview
RefChem:529994 (CAS 478255-85-5), with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol. IUPAC: 3-(3-methylphenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:529994
Property Insights of RefChem:529994
The XLogP value of 3.82411 indicates that RefChem:529994 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:529994. Following Lipinski's Rule of Five, RefChem:529994 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:529994?
The CAS number of RefChem:529994 is 478255-85-5.
What is the molecular formula of RefChem:529994?
The molecular formula of RefChem:529994 is C19H20N4O3S.
What is the molecular weight of RefChem:529994?
The molecular weight of RefChem:529994 is 384.13 g/mol.
Where can I buy RefChem:529994?
You can request a quote for RefChem:529994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:529994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:529994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.