VU0079181-2
TL;DR: VU0079181-2 (CAS 688791-64-2) is a chemical compound with molecular formula C20H13F3N2O3S and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3-[2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]chromen-2-one
Also Known As: VU0079181-2, 8-methoxy-3-{2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl}-2H-chromen-2-one, F3168-1597, 8-methoxy-3-[2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]chromen-2-one, 8-methoxy-3-(2-thioxo-1-(3-(trifluoromethyl)phenyl)-2,3-dihydro-1H-imidazol-4-yl)-2H-chromen-2-one
| Molecular Formula | C20H13F3N2O3S |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 5.33569 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0599 |
| Heavy Atoms | 29 |
| Complexity | 1335.292 |
Chemical Identifiers
| CAS Number | 688791-64-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C3=CN(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
VU0079181-2 (CAS 688791-64-2), with molecular formula C20H13F3N2O3S and molecular weight 418.06 g/mol. IUPAC: 8-methoxy-3-[2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]chromen-2-one.
Chemical Property Profile of VU0079181-2
Property Insights of VU0079181-2
The XLogP value of 5.33569 indicates that VU0079181-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0079181-2. Following Lipinski's Rule of Five, VU0079181-2 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 VU0079181-2?
The CAS number of VU0079181-2 is 688791-64-2.
What is the molecular formula of VU0079181-2?
The molecular formula of VU0079181-2 is C20H13F3N2O3S.
What is the molecular weight of VU0079181-2?
The molecular weight of VU0079181-2 is 418.06 g/mol.
Where can I buy VU0079181-2?
You can request a quote for VU0079181-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079181-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079181-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.