RefChem:529375
TL;DR: RefChem:529375 (CAS 219612-57-4) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-CHLOROPHENYL)-4-{[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-5-(2-chlorophenyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazo le-3-thiol, 5-(2-Chlorophenyl)-4-(((E)-(3,4,5-trimethoxyphenyl)methylidene)amino)-4H-1,2,4-triazol-3-YL hydrosulfide, 5-(2-chlorophenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 4.16909 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 1020.0763 |
Chemical Identifiers
| CAS Number | 219612-57-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl |
Product Overview
RefChem:529375 (CAS 219612-57-4), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:529375
Property Insights of RefChem:529375
The XLogP value of 4.16909 indicates that RefChem:529375 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:529375. Following Lipinski's Rule of Five, RefChem:529375 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:529375?
The CAS number of RefChem:529375 is 219612-57-4.
What is the molecular formula of RefChem:529375?
The molecular formula of RefChem:529375 is C18H17ClN4O3S.
What is the molecular weight of RefChem:529375?
The molecular weight of RefChem:529375 is 404.07 g/mol.
Where can I buy RefChem:529375?
You can request a quote for RefChem:529375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:529375?
Yes, KEHONG BIO provides custom synthesis services for RefChem:529375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.