C23H25BrN4OS
TL;DR: C23H25BrN4OS (CAS 861146-70-5) is a chemical compound with molecular formula C23H25BrN4OS and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromophenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-N-(2-bromop henyl)acetamide, N-(2-bromophenyl)-2-[[4-prop-2-enyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H25BrN4OS |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 5.9219 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.09326 |
| Heavy Atoms | 30 |
| Complexity | 1038.1018 |
Chemical Identifiers
| CAS Number | 861146-70-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3Br |
Product Overview
C23H25BrN4OS (CAS 861146-70-5), with molecular formula C23H25BrN4OS and molecular weight 484.09 g/mol. IUPAC: N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C23H25BrN4OS
Property Insights of C23H25BrN4OS
The XLogP value of 5.9219 indicates that C23H25BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C23H25BrN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H25BrN4OS 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 C23H25BrN4OS?
The CAS number of C23H25BrN4OS is 861146-70-5.
What is the molecular formula of C23H25BrN4OS?
The molecular formula of C23H25BrN4OS is C23H25BrN4OS.
What is the molecular weight of C23H25BrN4OS?
The molecular weight of C23H25BrN4OS is 484.09 g/mol.
Where can I buy C23H25BrN4OS?
You can request a quote for C23H25BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H25BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C23H25BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.