5,6,7-Trimethoxy-1-indanone
TL;DR: 5,6,7-Trimethoxy-1-indanone (CAS 38472-90-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxy-2,3-dihydroinden-1-one
Also Known As: 5,6,7-Trimethoxy-1-indanone, Maybridge1_004149, 5,6,7-trimethoxyindan-1-one, 5,6,7-trimethoxy-2,3-dihydroinden-1-one, 5,6,7-trimethoxy-2,3-dihydro-1H-inden-1-one
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 38472-90-1 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC2=O)OC)OC |
| InChIKey | GQMRLYSXCICRFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7-Trimethoxy-1-indanone (CAS 38472-90-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5,6,7-trimethoxy-2,3-dihydroinden-1-one.
Chemical Property Profile of 5,6,7-Trimethoxy-1-indanone
Property Insights of 5,6,7-Trimethoxy-1-indanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7-Trimethoxy-1-indanone. With a topological polar surface area (TPSA) of 44.8 Ų, 5,6,7-Trimethoxy-1-indanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7-Trimethoxy-1-indanone has 0 hydrogen bond donor(s) and 4 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 5,6,7-Trimethoxy-1-indanone?
The CAS number of 5,6,7-Trimethoxy-1-indanone is 38472-90-1.
What is the molecular formula of 5,6,7-Trimethoxy-1-indanone?
The molecular formula of 5,6,7-Trimethoxy-1-indanone is C12H14O4.
What is the molecular weight of 5,6,7-Trimethoxy-1-indanone?
The molecular weight of 5,6,7-Trimethoxy-1-indanone is 222.09 g/mol.
Where can I buy 5,6,7-Trimethoxy-1-indanone?
You can request a quote for 5,6,7-Trimethoxy-1-indanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7-Trimethoxy-1-indanone?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7-Trimethoxy-1-indanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.