IDI1_023016
TL;DR: IDI1_023016 (CAS 1005106-26-2) is a chemical compound with molecular formula C21H16N2O3S2 and molecular weight 408.06024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-methylphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: IDI1_023016, BRD-A73302905-001-01-3, 6-(4-methylphenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 5-(4-methylphenyl)-8-phenyl-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3,7>]dodec- 1(9)-ene-4,6,11-trione, 8-phenyl-6-(p-tolyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
Technical Specifications
| Molecular Formula | C21H16N2O3S2 |
| Molecular Weight | 408.06024 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.06024 Da |
| Heavy Atoms | 28 |
| Complexity | 738.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC=CC=C5 |
| InChIKey | ATNNANFIEIMDFG-UHFFFAOYSA-N |
Chemical Property Profile of IDI1_023016
Property Insights of IDI1_023016
The XLogP value of 3.5 indicates that IDI1_023016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_023016. Following Lipinski's Rule of Five, IDI1_023016 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of IDI1_023016?
The CAS number of IDI1_023016 is 1005106-26-2.
What is the molecular formula of IDI1_023016?
The molecular formula of IDI1_023016 is C21H16N2O3S2.
What is the molecular weight of IDI1_023016?
The molecular weight of IDI1_023016 is 408.06024 g/mol.
Where can I buy IDI1_023016?
You can request a quote for IDI1_023016 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IDI1_023016?
Yes, CoreyChem provides custom synthesis services for IDI1_023016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.