AR-196/42357930
TL;DR: AR-196/42357930 (CAS 702648-93-9) is a chemical compound with molecular formula C20H17BrF2N4OS and molecular weight 478.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AR-196/42357930, 2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4,6-difluorophenyl)-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-4,6-difluorophenyl)acetamide
| Molecular Formula | C20H17BrF2N4OS |
|---|---|
| Molecular Weight | 478.03 g/mol |
| LogP | 5.21102 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.02744 |
| Heavy Atoms | 29 |
| Complexity | 1047.3799 |
Chemical Identifiers
| CAS Number | 702648-93-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F |
Product Overview
AR-196/42357930 (CAS 702648-93-9), with molecular formula C20H17BrF2N4OS and molecular weight 478.03 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AR-196/42357930
Property Insights of AR-196/42357930
The XLogP value of 5.21102 indicates that AR-196/42357930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AR-196/42357930 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AR-196/42357930 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 AR-196/42357930?
The CAS number of AR-196/42357930 is 702648-93-9.
What is the molecular formula of AR-196/42357930?
The molecular formula of AR-196/42357930 is C20H17BrF2N4OS.
What is the molecular weight of AR-196/42357930?
The molecular weight of AR-196/42357930 is 478.03 g/mol.
Where can I buy AR-196/42357930?
You can request a quote for AR-196/42357930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-196/42357930?
Yes, KEHONG BIO provides custom synthesis services for AR-196/42357930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.