![3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile structure](/static/products/860/860644-75-3.png)
3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile
TL;DR: 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile (CAS 860644-75-3) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile
Also Known As: 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile, 10X-0126, 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile, 3-(2-furyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile, 3-(2-furyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile
| Molecular Formula | C16H15N3O |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 3.2191 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.12152 |
| Heavy Atoms | 20 |
| Complexity | 704.3086 |
Chemical Identifiers
| CAS Number | 860644-75-3 |
|---|---|
| SMILES | CC1=C(C(=C2C(=N1)C3CCN2CC3)C4=CC=CO4)C#N |
Product Overview
3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile (CAS 860644-75-3), with molecular formula C16H15N3O and molecular weight 265.12 g/mol. IUPAC: 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile.
Chemical Property Profile of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile
Property Insights of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile
The XLogP value of 3.2191 indicates that 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile has 0 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 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile?
The CAS number of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile is 860644-75-3.
What is the molecular formula of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile?
The molecular formula of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile is C16H15N3O.
What is the molecular weight of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile?
The molecular weight of 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile is 265.12 g/mol.
Where can I buy 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile?
You can request a quote for 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.