AP-845/42215629
TL;DR: AP-845/42215629 (CAS 620589-96-0) is a chemical compound with molecular formula C18H17FN2O2S2 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
Also Known As: AP-845/42215629, 1-(4-fluorophenyl)-3-(4-methylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide, F1453-0013, 1-(4-fluorophenyl)-3-(4-methylphenyl)-2-sulfanylidene-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-5,5-dione, 3-(4-fluorophenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
| Molecular Formula | C18H17FN2O2S2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 2.91122 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.07153 |
| Heavy Atoms | 25 |
| Complexity | 857.05334 |
Chemical Identifiers
| CAS Number | 620589-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=S)C4=CC=C(C=C4)F |
Product Overview
AP-845/42215629 (CAS 620589-96-0), with molecular formula C18H17FN2O2S2 and molecular weight 376.07 g/mol. IUPAC: 3-(4-fluorophenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione.
Chemical Property Profile of AP-845/42215629
Property Insights of AP-845/42215629
The XLogP value of 2.91122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-845/42215629. With a topological polar surface area (TPSA) of 40.62 Ų, AP-845/42215629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-845/42215629 has 0 hydrogen bond donor(s) and 3 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 AP-845/42215629?
The CAS number of AP-845/42215629 is 620589-96-0.
What is the molecular formula of AP-845/42215629?
The molecular formula of AP-845/42215629 is C18H17FN2O2S2.
What is the molecular weight of AP-845/42215629?
The molecular weight of AP-845/42215629 is 376.07 g/mol.
Where can I buy AP-845/42215629?
You can request a quote for AP-845/42215629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-845/42215629?
Yes, KEHONG BIO provides custom synthesis services for AP-845/42215629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.