![9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene structure](/static/products/875/875457-17-3.png)
9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene
TL;DR: 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene (CAS 875457-17-3) is a chemical compound with molecular formula C23H15N5OS and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
Also Known As: 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene, 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole, 6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-7-hydrobenzimidazolo[1,2-c]quina zoline
| Molecular Formula | C23H15N5OS |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 5.378 |
| Topological Polar Surface Area | 69.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.09973 |
| Heavy Atoms | 30 |
| Complexity | 1506.27 |
Chemical Identifiers
| CAS Number | 875457-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC4=CC=CC=C4C5=NC6=CC=CC=C6N53 |
Product Overview
9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene (CAS 875457-17-3), with molecular formula C23H15N5OS and molecular weight 409.10 g/mol. IUPAC: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole.
Chemical Property Profile of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene
Property Insights of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene
The XLogP value of 5.378 indicates that 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene. Following Lipinski's Rule of Five, 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene?
The CAS number of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene is 875457-17-3.
What is the molecular formula of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene?
The molecular formula of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene is C23H15N5OS.
What is the molecular weight of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene?
The molecular weight of 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene is 409.10 g/mol.
Where can I buy 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene?
You can request a quote for 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene?
Yes, KEHONG BIO provides custom synthesis services for 9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.