![15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one structure](/static/products/7289/728905-22-4.webp)
15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one
TL;DR: 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one (CAS 728905-22-4) is a chemical compound with molecular formula C20H16BrN3OS2 and molecular weight 456.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-(4-bromophenyl)sulfanyl-9-thia-11,16,17-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),2(8),11,13,15-pentaen-18-one
Also Known As: 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one, 2-(4-bromophenylthio)-7,8,9,10,11,13-hexahydrocyclohepta[2,1-d]pyridazino[1',6 '-1,2]pyrimidino[4,5-b]thiophen-12-one
| Molecular Formula | C20H16BrN3OS2 |
|---|---|
| Molecular Weight | 456.99 g/mol |
| LogP | 5.4868 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.99182 |
| Heavy Atoms | 27 |
| Complexity | 1214.078 |
Chemical Identifiers
| CAS Number | 728905-22-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N4C(=N3)C=CC(=N4)SC5=CC=C(C=C5)Br |
Product Overview
15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one (CAS 728905-22-4), with molecular formula C20H16BrN3OS2 and molecular weight 456.99 g/mol. IUPAC: 15-(4-bromophenyl)sulfanyl-9-thia-11,16,17-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),2(8),11,13,15-pentaen-18-one.
Chemical Property Profile of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one
Property Insights of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one
The XLogP value of 5.4868 indicates that 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one?
The CAS number of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one is 728905-22-4.
What is the molecular formula of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one?
The molecular formula of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one is C20H16BrN3OS2.
What is the molecular weight of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one?
The molecular weight of 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one is 456.99 g/mol.
Where can I buy 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one?
You can request a quote for 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one?
Yes, KEHONG BIO provides custom synthesis services for 15-[(4-bromophenyl)sulfanyl]-9-thia-11,16,17-triazatetracyclo[8.8.0.0^{2,8}.0^{12,17}]octadeca-1(10),2(8),11,13,15-pentaen-18-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.