![10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene structure](/static/products/885/885459-34-7.png)
10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
TL;DR: 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene (CAS 885459-34-7) is a chemical compound with molecular formula C16H12BrClN2S2 and molecular weight 409.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(4-bromophenyl)sulfanylmethyl]-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene, 2-{[(4-bromophenyl)thio]methyl}-4-chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene, 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,?]dodeca-1(12),2(6),8,10-tetraene
| Molecular Formula | C16H12BrClN2S2 |
|---|---|
| Molecular Weight | 409.93 g/mol |
| LogP | 5.8882 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.93137 |
| Heavy Atoms | 22 |
| Complexity | 845.46826 |
Chemical Identifiers
| CAS Number | 885459-34-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC(=N3)CSC4=CC=C(C=C4)Br)Cl |
Product Overview
10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene (CAS 885459-34-7), with molecular formula C16H12BrClN2S2 and molecular weight 409.93 g/mol. IUPAC: 10-[(4-bromophenyl)sulfanylmethyl]-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
Property Insights of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
The XLogP value of 5.8882 indicates that 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The CAS number of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is 885459-34-7.
What is the molecular formula of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The molecular formula of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is C16H12BrClN2S2.
What is the molecular weight of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The molecular weight of 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is 409.93 g/mol.
Where can I buy 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
You can request a quote for 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene 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)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 10-{[(4-bromophenyl)sulfanyl]methyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.