![12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene structure](/static/products/6702/670270-38-9.webp)
12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
TL;DR: 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 670270-38-9) is a chemical compound with molecular formula C22H24N4O2S and molecular weight 408.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
Also Known As: 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene, F1142-6478, 12-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C22H24N4O2S |
|---|---|
| Molecular Weight | 408.16 g/mol |
| LogP | 3.53932 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.162 |
| Heavy Atoms | 29 |
| Complexity | 1088.0961 |
Chemical Identifiers
| CAS Number | 670270-38-9 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 670270-38-9), with molecular formula C22H24N4O2S and molecular weight 408.16 g/mol. IUPAC: 12-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
Chemical Property Profile of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
Property Insights of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
The XLogP value of 3.53932 indicates that 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.72 Ų, 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene has 0 hydrogen bond donor(s) and 7 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 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The CAS number of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 670270-38-9.
What is the molecular formula of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular formula of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is C22H24N4O2S.
What is the molecular weight of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular weight of 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 408.16 g/mol.
Where can I buy 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
You can request a quote for 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.