VU0509495-1
TL;DR: VU0509495-1 (CAS 879930-66-2) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethylphenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: VU0509495-1, VU0509495-2, AB00689147-01, F3118-0059, 1-(2,3-dimethylphenyl)-3-(4-nitrophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione
| Molecular Formula | C19H19N3O5S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.82384 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.10455 |
| Heavy Atoms | 28 |
| Complexity | 1081.248 |
Chemical Identifiers
| CAS Number | 879930-66-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
VU0509495-1 (CAS 879930-66-2), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: 3-(2,3-dimethylphenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of VU0509495-1
Property Insights of VU0509495-1
The XLogP value of 2.82384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509495-1. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509495-1. Following Lipinski's Rule of Five, VU0509495-1 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 VU0509495-1?
The CAS number of VU0509495-1 is 879930-66-2.
What is the molecular formula of VU0509495-1?
The molecular formula of VU0509495-1 is C19H19N3O5S.
What is the molecular weight of VU0509495-1?
The molecular weight of VU0509495-1 is 401.10 g/mol.
Where can I buy VU0509495-1?
You can request a quote for VU0509495-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509495-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509495-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.