RefChem:449445
TL;DR: RefChem:449445 (CAS 330838-27-2) is a chemical compound with molecular formula C23H24BrN5O2S and molecular weight 513.08 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)-(2-ethoxyphenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(2-ETHOXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(2-ethoxyphenyl)methylidene)acetohydrazide, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(2-ETHOXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE, 651-074-1, N-[(1E)-2-(2-ethoxyphenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2- enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C23H24BrN5O2S |
|---|---|
| Molecular Weight | 513.08 g/mol |
| LogP | 4.9248 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.08344 |
| Heavy Atoms | 32 |
| Complexity | 1111.8295 |
Chemical Identifiers
| CAS Number | 330838-27-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1/C=N/NC(=O)CSC2=NN=C(N2CC(=C)C)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449445 (CAS 330838-27-2), with molecular formula C23H24BrN5O2S and molecular weight 513.08 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449445
Property Insights of RefChem:449445
The XLogP value of 4.9248 indicates that RefChem:449445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449445. Following Lipinski's Rule of Five, RefChem:449445 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449445?
The CAS number of RefChem:449445 is 330838-27-2.
What is the molecular formula of RefChem:449445?
The molecular formula of RefChem:449445 is C23H24BrN5O2S.
What is the molecular weight of RefChem:449445?
The molecular weight of RefChem:449445 is 513.08 g/mol.
Where can I buy RefChem:449445?
You can request a quote for RefChem:449445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.