F1745-0004
TL;DR: F1745-0004 (CAS 831205-93-7) is a chemical compound with molecular formula C19H19N3O6S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: F1745-0004, 1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 1-(4-ethoxyphenyl)-3-(3-nitrophenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 6-(4-ethoxyphenyl)-4-(3-nitrophenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-diazap entalene-2,2,5-trione
| Molecular Formula | C19H19N3O6S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 2.6057 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09946 |
| Heavy Atoms | 29 |
| Complexity | 1069.6069 |
Chemical Identifiers
| CAS Number | 831205-93-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
F1745-0004 (CAS 831205-93-7), with molecular formula C19H19N3O6S and molecular weight 417.10 g/mol. IUPAC: 1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of F1745-0004
Property Insights of F1745-0004
The XLogP value of 2.6057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1745-0004. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F1745-0004. Following Lipinski's Rule of Five, F1745-0004 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 F1745-0004?
The CAS number of F1745-0004 is 831205-93-7.
What is the molecular formula of F1745-0004?
The molecular formula of F1745-0004 is C19H19N3O6S.
What is the molecular weight of F1745-0004?
The molecular weight of F1745-0004 is 417.10 g/mol.
Where can I buy F1745-0004?
You can request a quote for F1745-0004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1745-0004?
Yes, KEHONG BIO provides custom synthesis services for F1745-0004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.