VU0509504-1
TL;DR: VU0509504-1 (CAS 879931-30-3) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-1-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: VU0509504-1, AB00682943-01, F3118-0078, 1-(2-methoxyphenyl)-3-(3-nitrophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 1-(2-methoxyphenyl)-3-(3-nitrophenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.2156 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 1070.4956 |
Chemical Identifiers
| CAS Number | 879931-30-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C3CS(=O)(=O)CC3N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
VU0509504-1 (CAS 879931-30-3), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: 3-(2-methoxyphenyl)-1-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of VU0509504-1
Property Insights of VU0509504-1
The XLogP value of 2.2156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509504-1. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509504-1. Following Lipinski's Rule of Five, VU0509504-1 has 0 hydrogen bond donor(s) and 6 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 VU0509504-1?
The CAS number of VU0509504-1 is 879931-30-3.
What is the molecular formula of VU0509504-1?
The molecular formula of VU0509504-1 is C18H17N3O6S.
What is the molecular weight of VU0509504-1?
The molecular weight of VU0509504-1 is 403.08 g/mol.
Where can I buy VU0509504-1?
You can request a quote for VU0509504-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509504-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509504-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.