Bionet1_004708
TL;DR: Bionet1_004708 (CAS 1005273-48-2) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione
Also Known As: Bionet1_004708, 8R-0833, 5-(2-furyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione, 5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5-(2-furanyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 2.2411 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 996.6043 |
Chemical Identifiers
| CAS Number | 1005273-48-2 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C3C(=O)CC(C(C3=O)N4C=NC=N4)C5=CC=CO5 |
Product Overview
Bionet1_004708 (CAS 1005273-48-2), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione.
Chemical Property Profile of Bionet1_004708
Property Insights of Bionet1_004708
The XLogP value of 2.2411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004708. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004708. Following Lipinski's Rule of Five, Bionet1_004708 has 1 hydrogen bond donor(s) and 6 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 Bionet1_004708?
The CAS number of Bionet1_004708 is 1005273-48-2.
What is the molecular formula of Bionet1_004708?
The molecular formula of Bionet1_004708 is C21H20N4O3.
What is the molecular weight of Bionet1_004708?
The molecular weight of Bionet1_004708 is 376.15 g/mol.
Where can I buy Bionet1_004708?
You can request a quote for Bionet1_004708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004708?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.