6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one
TL;DR: 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one (CAS 57897-24-2) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
Also Known As: 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one, 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one, 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo[g]indazol-3-one
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 57897-24-2 |
|---|---|
| SMILES | COC1=C(C(=C2CCC3C(=NNC3=O)C2=C1)OC)OC |
| InChIKey | FJMPXBTUAFUQAG-UHFFFAOYSA-N |
Product Overview
6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one (CAS 57897-24-2), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one.
Chemical Property Profile of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one
Property Insights of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one. Following Lipinski's Rule of Five, 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one 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 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one?
The CAS number of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one is 57897-24-2.
What is the molecular formula of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one?
The molecular formula of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one is C14H16N2O4.
What is the molecular weight of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one?
The molecular weight of 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one is 276.11 g/mol.
Where can I buy 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one?
You can request a quote for 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8-Trimethoxy-2,3a,4,5-tetrahydro-3H-benzo(g)indazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.