![10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/7224/722484-31-3.webp)
10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 722484-31-3) is a chemical compound with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 2-(4-Bromophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H11BrN2OS |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.9028 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.97754 |
| Heavy Atoms | 20 |
| Complexity | 863.9512 |
Chemical Identifiers
| CAS Number | 722484-31-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)Br |
Product Overview
10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 722484-31-3), with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol. IUPAC: 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 3.9028 indicates that 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one has 1 hydrogen bond donor(s) and 3 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 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 722484-31-3.
What is the molecular formula of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is C15H11BrN2OS.
What is the molecular weight of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 345.98 g/mol.
Where can I buy 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-bromophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.