RefChem:449450
TL;DR: RefChem:449450 (CAS 330838-30-7) is a chemical compound with molecular formula C20H20BrN5OS2 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methyl-2-thienyl)methylidene]acetohydrazide, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(3-methyl-2-thienyl)methylidene)acetohydrazide, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(3-METHYLTHIOPHEN-2-YL)METHYLIDENE]ACETOHYDRAZIDE, 651-127-9, N-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylpr op-2-enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C20H20BrN5OS2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 4.89602 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.02927 |
| Heavy Atoms | 29 |
| Complexity | 1039.5813 |
Chemical Identifiers
| CAS Number | 330838-30-7 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/NC(=O)CSC2=NN=C(N2CC(=C)C)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449450 (CAS 330838-30-7), with molecular formula C20H20BrN5OS2 and molecular weight 489.03 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449450
Property Insights of RefChem:449450
The XLogP value of 4.89602 indicates that RefChem:449450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449450. Following Lipinski's Rule of Five, RefChem:449450 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:449450?
The CAS number of RefChem:449450 is 330838-30-7.
What is the molecular formula of RefChem:449450?
The molecular formula of RefChem:449450 is C20H20BrN5OS2.
What is the molecular weight of RefChem:449450?
The molecular weight of RefChem:449450 is 489.03 g/mol.
Where can I buy RefChem:449450?
You can request a quote for RefChem:449450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449450?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.