RefChem:819900
TL;DR: RefChem:819900 (CAS 330838-32-9) is a chemical compound with molecular formula C29H28BrN5O3S and molecular weight 605.11 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-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
Also Known As: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-((5-(4-bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 649-934-6, N'-((E)-(4-(Benzyloxy)-3-methoxyphenyl)methylidene)-2-((5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetohydrazide, N'-[(E)-[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE]-2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE
| Molecular Formula | C29H28BrN5O3S |
|---|---|
| Molecular Weight | 605.11 g/mol |
| LogP | 6.1137 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 605.1096 |
| Heavy Atoms | 39 |
| Complexity | 1455.7917 |
Chemical Identifiers
| CAS Number | 330838-32-9 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)Br |
Product Overview
RefChem:819900 (CAS 330838-32-9), with molecular formula C29H28BrN5O3S and molecular weight 605.11 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:819900
Property Insights of RefChem:819900
The XLogP value of 6.1137 indicates that RefChem:819900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:819900. Following Lipinski's Rule of Five, RefChem:819900 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:819900?
The CAS number of RefChem:819900 is 330838-32-9.
What is the molecular formula of RefChem:819900?
The molecular formula of RefChem:819900 is C29H28BrN5O3S.
What is the molecular weight of RefChem:819900?
The molecular weight of RefChem:819900 is 605.11 g/mol.
Where can I buy RefChem:819900?
You can request a quote for RefChem:819900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.