IDI1_022593
TL;DR: IDI1_022593 (CAS 1192739-61-9) is a chemical compound with molecular formula C22H15BrN2O3S2 and molecular weight 497.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-8-[(E)-2-phenylethenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: IDI1_022593, AP-906/41649303, BRD-A62160418-001-01-8, 6-(4-bromophenyl)-8-(2-phenylvinyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 11-(4-Bromophenyl)-8-[(E)-2-phenylethenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
| Molecular Formula | C22H15BrN2O3S2 |
|---|---|
| Molecular Weight | 497.97 g/mol |
| LogP | 4.6598 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.97076 |
| Heavy Atoms | 30 |
| Complexity | 1217.1846 |
Chemical Identifiers
| CAS Number | 1192739-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5 |
Product Overview
IDI1_022593 (CAS 1192739-61-9), with molecular formula C22H15BrN2O3S2 and molecular weight 497.97 g/mol. IUPAC: 11-(4-bromophenyl)-8-[(E)-2-phenylethenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of IDI1_022593
Property Insights of IDI1_022593
The XLogP value of 4.6598 indicates that IDI1_022593 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 IDI1_022593. Following Lipinski's Rule of Five, IDI1_022593 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 IDI1_022593?
The CAS number of IDI1_022593 is 1192739-61-9.
What is the molecular formula of IDI1_022593?
The molecular formula of IDI1_022593 is C22H15BrN2O3S2.
What is the molecular weight of IDI1_022593?
The molecular weight of IDI1_022593 is 497.97 g/mol.
Where can I buy IDI1_022593?
You can request a quote for IDI1_022593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022593?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.