F1680-0007
TL;DR: F1680-0007 (CAS 879928-45-7) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-1-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: F1680-0007, 1-(3-nitrophenyl)-3-(m-tolyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 1-(3-methylphenyl)-3-(3-nitrophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 3-(3-methylphenyl)-1-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 4-(3-methylphenyl)-6-(3-nitrophenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-diazap entalene-2,2,5-trione
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 2.51542 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 1052.4675 |
Chemical Identifiers
| CAS Number | 879928-45-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
F1680-0007 (CAS 879928-45-7), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: 3-(3-methylphenyl)-1-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of F1680-0007
Property Insights of F1680-0007
The XLogP value of 2.51542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1680-0007. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F1680-0007. Following Lipinski's Rule of Five, F1680-0007 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 F1680-0007?
The CAS number of F1680-0007 is 879928-45-7.
What is the molecular formula of F1680-0007?
The molecular formula of F1680-0007 is C18H17N3O5S.
What is the molecular weight of F1680-0007?
The molecular weight of F1680-0007 is 387.09 g/mol.
Where can I buy F1680-0007?
You can request a quote for F1680-0007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1680-0007?
Yes, KEHONG BIO provides custom synthesis services for F1680-0007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.