![13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile structure](/static/products/848/848930-68-7.png)
13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
TL;DR: 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 848930-68-7) is a chemical compound with molecular formula C26H29N5 and molecular weight 411.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propylamino]-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, F3250-0073, 1-[3-(dimethylamino)propylamino]-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-{[3-(dimethylamino)propyl]amino}-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-(dimethylamino)propyl)amino)-3-methyl-2-(4-methylbenzyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C26H29N5 |
|---|---|
| Molecular Weight | 411.24 g/mol |
| LogP | 4.93042 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.2423 |
| Heavy Atoms | 31 |
| Complexity | 1259.4254 |
Chemical Identifiers
| CAS Number | 848930-68-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)NCCCN(C)C |
Product Overview
13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 848930-68-7), with molecular formula C26H29N5 and molecular weight 411.24 g/mol. IUPAC: 1-[3-(dimethylamino)propylamino]-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
Property Insights of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 4.93042 indicates that 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 56.36 Ų, 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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, 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile has 1 hydrogen bond donor(s) and 4 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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 848930-68-7.
What is the molecular formula of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is C26H29N5.
What is the molecular weight of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)methyl]-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 411.24 g/mol.
Where can I buy 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-[(4-methylphenyl)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.