AP-906/41649304
TL;DR: AP-906/41649304 (CAS 1005087-60-4) is a chemical compound with molecular formula C22H15ClN2O3S2 and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-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: AP-906/41649304, 6-(4-chlorophenyl)-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-Chlorophenyl)-8-[(E)-2-phenylethenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione, (E)-6-(4-chlorophenyl)-8-styryl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione, 2-((1E)-2-phenylvinyl)-5-(4-chlorophenyl)-8,12-dithia-5,10-diazatricyclo[7.3.0 .0<3,7>]dodec-1(9)-ene-4,6,11-trione
| Molecular Formula | C22H15ClN2O3S2 |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 4.5507 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.02127 |
| Heavy Atoms | 30 |
| Complexity | 1217.1846 |
Chemical Identifiers
| CAS Number | 1005087-60-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5 |
Product Overview
AP-906/41649304 (CAS 1005087-60-4), with molecular formula C22H15ClN2O3S2 and molecular weight 454.02 g/mol. IUPAC: 11-(4-chlorophenyl)-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 AP-906/41649304
Property Insights of AP-906/41649304
The XLogP value of 4.5507 indicates that AP-906/41649304 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 AP-906/41649304. Following Lipinski's Rule of Five, AP-906/41649304 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 AP-906/41649304?
The CAS number of AP-906/41649304 is 1005087-60-4.
What is the molecular formula of AP-906/41649304?
The molecular formula of AP-906/41649304 is C22H15ClN2O3S2.
What is the molecular weight of AP-906/41649304?
The molecular weight of AP-906/41649304 is 454.02 g/mol.
Where can I buy AP-906/41649304?
You can request a quote for AP-906/41649304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41649304?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41649304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.