F3118-0052
TL;DR: F3118-0052 (CAS 879930-26-4) 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-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: F3118-0052, 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-di azapentalene-2,2,5-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 | 879930-26-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
F3118-0052 (CAS 879930-26-4), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of F3118-0052
Property Insights of F3118-0052
The XLogP value of 2.82384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3118-0052. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F3118-0052. Following Lipinski's Rule of Five, F3118-0052 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 F3118-0052?
The CAS number of F3118-0052 is 879930-26-4.
What is the molecular formula of F3118-0052?
The molecular formula of F3118-0052 is C19H19N3O5S.
What is the molecular weight of F3118-0052?
The molecular weight of F3118-0052 is 401.10 g/mol.
Where can I buy F3118-0052?
You can request a quote for F3118-0052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3118-0052?
Yes, KEHONG BIO provides custom synthesis services for F3118-0052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.