![12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile structure](/static/products/522/522606-08-2.png)
12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
TL;DR: 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 522606-08-2) is a chemical compound with molecular formula C27H29N5O and molecular weight 439.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 2-ethyl-1-(4-(4-methoxybenzyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-ETHYL-1-[4-(4-METHOXYBENZYL)-1-PIPERAZINYL]-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 2-ethyl-1-[4-(4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C27H29N5O |
|---|---|
| Molecular Weight | 439.24 g/mol |
| LogP | 4.5608 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.2372 |
| Heavy Atoms | 33 |
| Complexity | 1341.4479 |
Chemical Identifiers
| CAS Number | 522606-08-2 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=C(C=C5)OC |
Product Overview
12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 522606-08-2), with molecular formula C27H29N5O and molecular weight 439.24 g/mol. IUPAC: 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
Property Insights of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
The XLogP value of 4.5608 indicates that 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile 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 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
The CAS number of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 522606-08-2.
What is the molecular formula of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
The molecular formula of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is C27H29N5O.
What is the molecular weight of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
The molecular weight of 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 439.24 g/mol.
Where can I buy 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
You can request a quote for 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 12-ethyl-13-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.