![5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile structure](/static/products/860/860784-23-2.png)
5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile
TL;DR: 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile (CAS 860784-23-2) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-thiophen-2-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile
Also Known As: 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile, 11X-0018, 5-methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile, 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile, 5-methyl-3-thiophen-2-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.6876 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 704.3086 |
Chemical Identifiers
| CAS Number | 860784-23-2 |
|---|---|
| SMILES | CC1=C(C(=C2C(=N1)C3CCN2CC3)C4=CC=CS4)C#N |
Product Overview
5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile (CAS 860784-23-2), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 5-methyl-3-thiophen-2-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbonitrile.
Chemical Property Profile of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile
Property Insights of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile
The XLogP value of 3.6876 indicates that 5-methyl-3-(2-thienyl)-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 39.92 Ų, 5-methyl-3-(2-thienyl)-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, 5-methyl-3-(2-thienyl)-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 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile?
The CAS number of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile is 860784-23-2.
What is the molecular formula of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile?
The molecular formula of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile is C16H15N3S.
What is the molecular weight of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile?
The molecular weight of 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile is 281.10 g/mol.
Where can I buy 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-4-carbonitrile?
You can request a quote for 5-methyl-3-(2-thienyl)-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 5-methyl-3-(2-thienyl)-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 5-methyl-3-(2-thienyl)-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.