C18H14BrClF2N4OS
TL;DR: C18H14BrClF2N4OS (CAS 824944-07-2) is a chemical compound with molecular formula C18H14BrClF2N4OS and molecular weight 485.97 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-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4,6-difluorophenyl)-2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-bromo-4,6-difluorophenyl)-2-((5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[5-(2-chlorophenyl)-4-ethyl(1,2,4-triazol-3-y lthio)]acetamide
| Molecular Formula | C18H14BrClF2N4OS |
|---|---|
| Molecular Weight | 485.97 g/mol |
| LogP | 5.3899 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.97284 |
| Heavy Atoms | 28 |
| Complexity | 1007.56537 |
Chemical Identifiers
| CAS Number | 824944-07-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)C3=CC=CC=C3Cl |
Product Overview
C18H14BrClF2N4OS (CAS 824944-07-2), with molecular formula C18H14BrClF2N4OS and molecular weight 485.97 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C18H14BrClF2N4OS
Property Insights of C18H14BrClF2N4OS
The XLogP value of 5.3899 indicates that C18H14BrClF2N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C18H14BrClF2N4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H14BrClF2N4OS 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 C18H14BrClF2N4OS?
The CAS number of C18H14BrClF2N4OS is 824944-07-2.
What is the molecular formula of C18H14BrClF2N4OS?
The molecular formula of C18H14BrClF2N4OS is C18H14BrClF2N4OS.
What is the molecular weight of C18H14BrClF2N4OS?
The molecular weight of C18H14BrClF2N4OS is 485.97 g/mol.
Where can I buy C18H14BrClF2N4OS?
You can request a quote for C18H14BrClF2N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14BrClF2N4OS?
Yes, KEHONG BIO provides custom synthesis services for C18H14BrClF2N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.