RefChem:449460
TL;DR: RefChem:449460 (CAS 330838-36-3) is a chemical compound with molecular formula C20H19BrN6OS and molecular weight 470.05 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)-pyridin-4-ylmethylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-4-pyridinylmethylidene]acetohydrazide, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-4-pyridinylmethylidene)acetohydrazide, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(PYRIDIN-4-YL)METHYLIDENE]ACETOHYDRAZIDE, 649-922-0
| Molecular Formula | C20H19BrN6OS |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 3.9211 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.05243 |
| Heavy Atoms | 29 |
| Complexity | 1017.2105 |
Chemical Identifiers
| CAS Number | 330838-36-3 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=NC=C2)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449460 (CAS 330838-36-3), with molecular formula C20H19BrN6OS and molecular weight 470.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
Chemical Property Profile of RefChem:449460
Property Insights of RefChem:449460
The XLogP value of 3.9211 indicates that RefChem:449460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449460. Following Lipinski's Rule of Five, RefChem:449460 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:449460?
The CAS number of RefChem:449460 is 330838-36-3.
What is the molecular formula of RefChem:449460?
The molecular formula of RefChem:449460 is C20H19BrN6OS.
What is the molecular weight of RefChem:449460?
The molecular weight of RefChem:449460 is 470.05 g/mol.
Where can I buy RefChem:449460?
You can request a quote for RefChem:449460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449460?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.