RefChem:819920
TL;DR: RefChem:819920 (CAS 330838-33-0) is a chemical compound with molecular formula C22H21Br2N5O2S and molecular weight 576.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 651-082-5, N'-((E)-(5-BROMO-2-METHOXYPHENYL)METHYLIDENE)-2-((5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDE
| Molecular Formula | C22H21Br2N5O2S |
|---|---|
| Molecular Weight | 576.98 g/mol |
| LogP | 5.2972 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.9783 |
| Heavy Atoms | 32 |
| Complexity | 1145.723 |
Chemical Identifiers
| CAS Number | 330838-33-0 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC)C3=CC=C(C=C3)Br |
Product Overview
RefChem:819920 (CAS 330838-33-0), with molecular formula C22H21Br2N5O2S and molecular weight 576.98 g/mol. IUPAC: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819920
Property Insights of RefChem:819920
The XLogP value of 5.2972 indicates that RefChem:819920 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:819920. Following Lipinski's Rule of Five, RefChem:819920 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:819920?
The CAS number of RefChem:819920 is 330838-33-0.
What is the molecular formula of RefChem:819920?
The molecular formula of RefChem:819920 is C22H21Br2N5O2S.
What is the molecular weight of RefChem:819920?
The molecular weight of RefChem:819920 is 576.98 g/mol.
Where can I buy RefChem:819920?
You can request a quote for RefChem:819920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.