![10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene structure](/static/products/5776/577699-48-0.webp)
10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
TL;DR: 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene (CAS 577699-48-0) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-Benzofuran-2-yl)-1-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, 3-(1-benzo[b]furan-2-yl)-1-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, PYRAZOLO[3,4-B]AZEPINE, 3-(2-BENZOFURANYL)-1,4,5,6,7,8-HEXAHYDRO-1-(4-METHOXYPHENYL)-
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 5.0423 |
| Topological Polar Surface Area | 52.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 1059.654 |
Chemical Identifiers
| CAS Number | 577699-48-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(CCCCN3)C(=N2)C4=CC5=CC=CC=C5O4 |
Product Overview
10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene (CAS 577699-48-0), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
Property Insights of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
The XLogP value of 5.0423 indicates that 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.22 Ų, 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The CAS number of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is 577699-48-0.
What is the molecular formula of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The molecular formula of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is C22H21N3O2.
What is the molecular weight of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
The molecular weight of 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene is 359.16 g/mol.
Where can I buy 10-benzofuran-2-yl-8-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
You can request a quote for 10-benzofuran-2-yl-8-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene?
Yes, KEHONG BIO provides custom synthesis services for 10-benzofuran-2-yl-8-(4-methoxyphenyl)-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.