![16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile structure](/static/products/3073/307327-33-9.webp)
16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
TL;DR: 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile (CAS 307327-33-9) is a chemical compound with molecular formula C25H24N4O2 and molecular weight 412.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[2-(3,4-dimethoxyphenyl)ethylamino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile, F1092-0126, 11-((3,4-dimethoxyphenethyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 11-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE
| Molecular Formula | C25H24N4O2 |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 4.51968 |
| Topological Polar Surface Area | 71.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1899 |
| Heavy Atoms | 31 |
| Complexity | 1333.3462 |
Chemical Identifiers
| CAS Number | 307327-33-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N)OC |
Product Overview
16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile (CAS 307327-33-9), with molecular formula C25H24N4O2 and molecular weight 412.19 g/mol. IUPAC: 16-[2-(3,4-dimethoxyphenyl)ethylamino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
Property Insights of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
The XLogP value of 4.51968 indicates that 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile. Following Lipinski's Rule of Five, 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile has 1 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 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile?
The CAS number of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile is 307327-33-9.
What is the molecular formula of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile?
The molecular formula of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile is C25H24N4O2.
What is the molecular weight of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile?
The molecular weight of 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile is 412.19 g/mol.
Where can I buy 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile?
You can request a quote for 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-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 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 16-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.