ChemDiv3_005106
TL;DR: ChemDiv3_005106 (CAS 1005106-26-2) is a chemical compound with molecular formula C21H16N2O3S2 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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: ChemDiv3_005106, 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
| Molecular Formula | C21H16N2O3S2 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 3.54062 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.06024 |
| Heavy Atoms | 28 |
| Complexity | 1134.4623 |
Chemical Identifiers
| CAS Number | 1005106-26-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC=CC=C5 |
Product Overview
ChemDiv3_005106 (CAS 1005106-26-2), with molecular formula C21H16N2O3S2 and molecular weight 408.06 g/mol. IUPAC: 11-(4-methylphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of ChemDiv3_005106
Property Insights of ChemDiv3_005106
The XLogP value of 3.54062 indicates that ChemDiv3_005106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005106. Following Lipinski's Rule of Five, ChemDiv3_005106 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
Frequently Asked Questions
What is the CAS number of ChemDiv3_005106?
The CAS number of ChemDiv3_005106 is 1005106-26-2.
What is the molecular formula of ChemDiv3_005106?
The molecular formula of ChemDiv3_005106 is C21H16N2O3S2.
What is the molecular weight of ChemDiv3_005106?
The molecular weight of ChemDiv3_005106 is 408.06 g/mol.
Where can I buy ChemDiv3_005106?
You can request a quote for ChemDiv3_005106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005106?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.