RefChem:449462
TL;DR: RefChem:449462 (CAS 330838-49-8) is a chemical compound with molecular formula C23H22BrN5OS and molecular weight 495.07 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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: 2-((5-(4-Bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-phenylallylidene)acetohydrazide, 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide, 2-((5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E,2E)-3-PHENYL-2-PROPENYLIDENE)ACETOHYDRAZIDE, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(1E,2E)-3-PHENYLPROP-2-EN-1-YLIDENE]ACETOHYDRAZIDE, 649-982-8
| Molecular Formula | C23H22BrN5OS |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 5.1912 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.07285 |
| Heavy Atoms | 31 |
| Complexity | 1090.9144 |
Chemical Identifiers
| CAS Number | 330838-49-8 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449462 (CAS 330838-49-8), with molecular formula C23H22BrN5OS and molecular weight 495.07 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of RefChem:449462
Property Insights of RefChem:449462
The XLogP value of 5.1912 indicates that RefChem:449462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449462. Following Lipinski's Rule of Five, RefChem:449462 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449462?
The CAS number of RefChem:449462 is 330838-49-8.
What is the molecular formula of RefChem:449462?
The molecular formula of RefChem:449462 is C23H22BrN5OS.
What is the molecular weight of RefChem:449462?
The molecular weight of RefChem:449462 is 495.07 g/mol.
Where can I buy RefChem:449462?
You can request a quote for RefChem:449462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.