![3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole structure](/static/products/5610/5610-16-2.webp)
3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
TL;DR: 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (CAS 5610-16-2) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one
Also Known As: AI-346/11355032, 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole, 1-[7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one, 1-[7-Methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]propan-1-one
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.8634 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 985.366 |
Chemical Identifiers
| CAS Number | 5610-16-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (CAS 5610-16-2), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 1-[7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one.
Chemical Property Profile of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
Property Insights of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
The XLogP value of 3.8634 indicates that 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole. Following Lipinski's Rule of Five, 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole has 0 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 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The CAS number of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is 5610-16-2.
What is the molecular formula of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The molecular formula of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is C21H21N3O4.
What is the molecular weight of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The molecular weight of 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is 379.15 g/mol.
Where can I buy 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
You can request a quote for 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.