![13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile structure](/static/products/4425/442572-59-0.webp)
13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 442572-59-0) is a chemical compound with molecular formula C23H31N5 and molecular weight 377.26 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-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 1-{[3-(dimethylamino)propyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile, F1126-0370, 1-[3-(dimethylamino)propylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-(dimethylamino)propyl)amino)-3-methyl-2-pentylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C23H31N5 |
|---|---|
| Molecular Weight | 377.26 g/mol |
| LogP | 4.7639 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.25793 |
| Heavy Atoms | 28 |
| Complexity | 993.79443 |
Chemical Identifiers
| CAS Number | 442572-59-0 |
|---|---|
| SMILES | CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCN(C)C |
Product Overview
13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile (CAS 442572-59-0), with molecular formula C23H31N5 and molecular weight 377.26 g/mol. IUPAC: 1-[3-(dimethylamino)propylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
The XLogP value of 4.7639 indicates that 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-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-pentyl-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-pentyl-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-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 442572-59-0.
What is the molecular formula of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is C23H31N5.
What is the molecular weight of 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile is 377.26 g/mol.
Where can I buy 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-pentyl-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-pentyl-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-pentyl-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-pentyl-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.