RefChem:830188
TL;DR: RefChem:830188 (CAS 540497-81-2) is a chemical compound with molecular formula C21H20F3N5O2S and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-N-propan-2-yl-2-[4-[(E)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetamide
Also Known As: Salor-int l445355-1ea, N-isopropyl-N-phenyl-2-[4-((E)-{[5-thioxo-3-(trifluoromethyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetamide, 644-704-1, N-ISOPROPYL-N-PHENYL-2-(4-((E)-((5-THIOXO-3-(TRIFLUOROMETHYL)-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOXY)ACETAMIDE, RefChem:830188
| Molecular Formula | C21H20F3N5O2S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 4.66209 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.12897 |
| Heavy Atoms | 32 |
| Complexity | 1138.7369 |
Chemical Identifiers
| CAS Number | 540497-81-2 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C(F)(F)F |
Product Overview
RefChem:830188 (CAS 540497-81-2), with molecular formula C21H20F3N5O2S and molecular weight 463.13 g/mol. IUPAC: N-phenyl-N-propan-2-yl-2-[4-[(E)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetamide.
Chemical Property Profile of RefChem:830188
Property Insights of RefChem:830188
The XLogP value of 4.66209 indicates that RefChem:830188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:830188. Following Lipinski's Rule of Five, RefChem:830188 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:830188?
The CAS number of RefChem:830188 is 540497-81-2.
What is the molecular formula of RefChem:830188?
The molecular formula of RefChem:830188 is C21H20F3N5O2S.
What is the molecular weight of RefChem:830188?
The molecular weight of RefChem:830188 is 463.13 g/mol.
Where can I buy RefChem:830188?
You can request a quote for RefChem:830188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:830188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:830188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.