![4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene structure](/static/products/896/896067-05-3.png)
4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene
TL;DR: 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene (CAS 896067-05-3) is a chemical compound with molecular formula C28H30N6 and molecular weight 450.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11,13-trimethyl-6-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
Also Known As: 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene, 2,8,10-trimethyl-4-(4-((2-methylnaphthalen-1-yl)methyl)piperazin-1-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine, 2,8,10-trimethyl-4-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine, 2,8,10-trimethyl-4-{4-[(2-methylnaphthyl)methyl]piperazinyl}-5-hydropyrimidino [1',2'-1,5]pyrazolo[3,4-b]pyridine
| Molecular Formula | C28H30N6 |
|---|---|
| Molecular Weight | 450.25 g/mol |
| LogP | 4.98658 |
| Topological Polar Surface Area | 49.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.2532 |
| Heavy Atoms | 34 |
| Complexity | 1541.9752 |
Chemical Identifiers
| CAS Number | 896067-05-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C4=CC(=NC5=C6C(=CC(=NC6=NN45)C)C)C |
Product Overview
4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene (CAS 896067-05-3), with molecular formula C28H30N6 and molecular weight 450.25 g/mol. IUPAC: 4,11,13-trimethyl-6-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
Chemical Property Profile of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene
Property Insights of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene
The XLogP value of 4.98658 indicates that 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.56 Ų, 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene has 0 hydrogen bond donor(s) and 5 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 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?
The CAS number of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is 896067-05-3.
What is the molecular formula of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?
The molecular formula of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is C28H30N6.
What is the molecular weight of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?
The molecular weight of 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is 450.25 g/mol.
Where can I buy 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?
You can request a quote for 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?
Yes, KEHONG BIO provides custom synthesis services for 4,11,13-trimethyl-6-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.