VU0509490-1
TL;DR: VU0509490-1 (CAS 879930-37-7) is a chemical compound with molecular formula C18H14F3N3O5S and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: VU0509490-1, VU0509490-2, F3118-0054, 1-(4-nitrophenyl)-3-(3-(trifluoromethyl)phenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione
| Molecular Formula | C18H14F3N3O5S |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 3.2258 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.06064 |
| Heavy Atoms | 30 |
| Complexity | 1134.5011 |
Chemical Identifiers
| CAS Number | 879930-37-7 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F |
Product Overview
VU0509490-1 (CAS 879930-37-7), with molecular formula C18H14F3N3O5S and molecular weight 441.06 g/mol. IUPAC: 1-(4-nitrophenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of VU0509490-1
Property Insights of VU0509490-1
The XLogP value of 3.2258 indicates that VU0509490-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509490-1. Following Lipinski's Rule of Five, VU0509490-1 has 0 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 VU0509490-1?
The CAS number of VU0509490-1 is 879930-37-7.
What is the molecular formula of VU0509490-1?
The molecular formula of VU0509490-1 is C18H14F3N3O5S.
What is the molecular weight of VU0509490-1?
The molecular weight of VU0509490-1 is 441.06 g/mol.
Where can I buy VU0509490-1?
You can request a quote for VU0509490-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509490-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509490-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.