![2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide structure](/static/products/7276/727679-31-4.webp)
2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
TL;DR: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 727679-31-4) is a chemical compound with molecular formula C19H17FN4OS and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, A3777/0160297, 2-((7-Cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-({4-cyano-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2,4,6-trien-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
| Molecular Formula | C19H17FN4OS |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 3.52058 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.11072 |
| Heavy Atoms | 26 |
| Complexity | 885.6475 |
Chemical Identifiers
| CAS Number | 727679-31-4 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C=C(C(=N3)SCC(=O)NC4=CC=C(C=C4)F)C#N |
Product Overview
2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 727679-31-4), with molecular formula C19H17FN4OS and molecular weight 368.11 g/mol. IUPAC: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Property Insights of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
The XLogP value of 3.52058 indicates that 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide 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 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The CAS number of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 727679-31-4.
What is the molecular formula of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is C19H17FN4OS.
What is the molecular weight of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 368.11 g/mol.
Where can I buy 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.