RefChem:448449
TL;DR: RefChem:448449 (CAS 618441-28-4) is a chemical compound with molecular formula C25H20BrF3N4O2S and molecular weight 576.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-({4-(2-BROMOPHENYL)-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE, 2-((4-(2-BROMOPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE, 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 644-810-8
| Molecular Formula | C25H20BrF3N4O2S |
|---|---|
| Molecular Weight | 576.04 g/mol |
| LogP | 6.66682 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 576.04425 |
| Heavy Atoms | 36 |
| Complexity | 1360.1741 |
Chemical Identifiers
| CAS Number | 618441-28-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3Br)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
RefChem:448449 (CAS 618441-28-4), with molecular formula C25H20BrF3N4O2S and molecular weight 576.04 g/mol. IUPAC: 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:448449
Property Insights of RefChem:448449
The XLogP value of 6.66682 indicates that RefChem:448449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448449. Following Lipinski's Rule of Five, RefChem:448449 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448449?
The CAS number of RefChem:448449 is 618441-28-4.
What is the molecular formula of RefChem:448449?
The molecular formula of RefChem:448449 is C25H20BrF3N4O2S.
What is the molecular weight of RefChem:448449?
The molecular weight of RefChem:448449 is 576.04 g/mol.
Where can I buy RefChem:448449?
You can request a quote for RefChem:448449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.