C21H21BrN4OS
TL;DR: C21H21BrN4OS (CAS 848930-45-0) is a chemical compound with molecular formula C21H21BrN4OS and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-bromo-4-methylphenyl)-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide, N-(2-bromo-4-methylphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4-methylphenyl)-2-[5-(3-methylphenyl)-4-prop-2-enyl(1,2,4-triazol-3 -ylthio)]acetamide
| Molecular Formula | C21H21BrN4OS |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 5.24124 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.06195 |
| Heavy Atoms | 28 |
| Complexity | 1015.3902 |
Chemical Identifiers
| CAS Number | 848930-45-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)C)Br |
Product Overview
C21H21BrN4OS (CAS 848930-45-0), with molecular formula C21H21BrN4OS and molecular weight 456.06 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C21H21BrN4OS
Property Insights of C21H21BrN4OS
The XLogP value of 5.24124 indicates that C21H21BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C21H21BrN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H21BrN4OS has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H21BrN4OS?
The CAS number of C21H21BrN4OS is 848930-45-0.
What is the molecular formula of C21H21BrN4OS?
The molecular formula of C21H21BrN4OS is C21H21BrN4OS.
What is the molecular weight of C21H21BrN4OS?
The molecular weight of C21H21BrN4OS is 456.06 g/mol.
Where can I buy C21H21BrN4OS?
You can request a quote for C21H21BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C21H21BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.