![10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene structure](/static/products/5779/577958-60-2.webp)
10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
TL;DR: 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene (CAS 577958-60-2) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-benzo[b]furan-2-yl)-1-(2-nitrophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-Benzofuran-2-yl)-1-(2-nitrophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-benzofuran-2-yl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, PYRAZOLO[3,4-B]AZEPINE, 3-(2-BENZOFURANYL)-1,4,5,6,7,8-HEXAHYDRO-1-(2-NITROPHENYL)-
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 4.9419 |
| Topological Polar Surface Area | 86.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1158.5593 |
Chemical Identifiers
| CAS Number | 577958-60-2 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C3=CC=CC=C3[N+](=O)[O-])C4=CC5=CC=CC=C5O4 |
Product Overview
10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene (CAS 577958-60-2), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
Property Insights of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
The XLogP value of 4.9419 indicates that 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene. Following Lipinski's Rule of Five, 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene 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 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The CAS number of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is 577958-60-2.
What is the molecular formula of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The molecular formula of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is C21H18N4O3.
What is the molecular weight of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The molecular weight of 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is 374.14 g/mol.
Where can I buy 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
You can request a quote for 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
Yes, KEHONG BIO provides custom synthesis services for 10-benzofuran-2-yl-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.