RefChem:449432
TL;DR: RefChem:449432 (CAS 330838-60-3) is a chemical compound with molecular formula C22H19BrN6O2S and molecular weight 510.05 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-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Also Known As: 2-((5-(4-Bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-oxoindolin-3-ylidene)acetohydrazide, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(3E)-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]ACETOHYDRAZIDE, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulf anyl)-N'-((3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-(2-oxoindol-3-yl)acetohydrazide, 2-[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)(1,2,4-triazol-3-ylthio)]-N-[(2-ox o(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide
| Molecular Formula | C22H19BrN6O2S |
|---|---|
| Molecular Weight | 510.05 g/mol |
| LogP | 5.8732 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.04736 |
| Heavy Atoms | 32 |
| Complexity | 1326.203 |
Chemical Identifiers
| CAS Number | 330838-60-3 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=C(C=C4)Br |
Product Overview
RefChem:449432 (CAS 330838-60-3), with molecular formula C22H19BrN6O2S and molecular weight 510.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
Chemical Property Profile of RefChem:449432
Property Insights of RefChem:449432
The XLogP value of 5.8732 indicates that RefChem:449432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449432. Following Lipinski's Rule of Five, RefChem:449432 has 2 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:449432?
The CAS number of RefChem:449432 is 330838-60-3.
What is the molecular formula of RefChem:449432?
The molecular formula of RefChem:449432 is C22H19BrN6O2S.
What is the molecular weight of RefChem:449432?
The molecular weight of RefChem:449432 is 510.05 g/mol.
Where can I buy RefChem:449432?
You can request a quote for RefChem:449432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449432?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.