C20H18BrClN4OS
TL;DR: C20H18BrClN4OS (CAS 849019-60-9) is a chemical compound with molecular formula C20H18BrClN4OS and molecular weight 476.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide, N-(4-bromo-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2-methylphenyl)-2-[5-(3-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3 -ylthio)]acetamide
| Molecular Formula | C20H18BrClN4OS |
|---|---|
| Molecular Weight | 476.01 g/mol |
| LogP | 5.58622 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.00732 |
| Heavy Atoms | 28 |
| Complexity | 1021.1903 |
Chemical Identifiers
| CAS Number | 849019-60-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Cl |
Product Overview
C20H18BrClN4OS (CAS 849019-60-9), with molecular formula C20H18BrClN4OS and molecular weight 476.01 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C20H18BrClN4OS
Property Insights of C20H18BrClN4OS
The XLogP value of 5.58622 indicates that C20H18BrClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C20H18BrClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H18BrClN4OS 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 C20H18BrClN4OS?
The CAS number of C20H18BrClN4OS is 849019-60-9.
What is the molecular formula of C20H18BrClN4OS?
The molecular formula of C20H18BrClN4OS is C20H18BrClN4OS.
What is the molecular weight of C20H18BrClN4OS?
The molecular weight of C20H18BrClN4OS is 476.01 g/mol.
Where can I buy C20H18BrClN4OS?
You can request a quote for C20H18BrClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18BrClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C20H18BrClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.