RefChem:449449
TL;DR: RefChem:449449 (CAS 477734-76-2) is a chemical compound with molecular formula C21H20BrN5O2S and molecular weight 485.05 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)-(3-hydroxyphenyl)methylideneamino]acetamide
Also Known As: BAS 01176990, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(3-hydroxyphenyl)methylidene)acetohydrazide, 651-128-4, N-[(1E)-2-(3-hydroxyphenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2 -enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H20BrN5O2S |
|---|---|
| Molecular Weight | 485.05 g/mol |
| LogP | 4.2317 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.05212 |
| Heavy Atoms | 30 |
| Complexity | 1079.2557 |
Chemical Identifiers
| CAS Number | 477734-76-2 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)O)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449449 (CAS 477734-76-2), with molecular formula C21H20BrN5O2S and molecular weight 485.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449449
Property Insights of RefChem:449449
The XLogP value of 4.2317 indicates that RefChem:449449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449449. Following Lipinski's Rule of Five, RefChem:449449 has 2 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:449449?
The CAS number of RefChem:449449 is 477734-76-2.
What is the molecular formula of RefChem:449449?
The molecular formula of RefChem:449449 is C21H20BrN5O2S.
What is the molecular weight of RefChem:449449?
The molecular weight of RefChem:449449 is 485.05 g/mol.
Where can I buy RefChem:449449?
You can request a quote for RefChem:449449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.