z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-
TL;DR: z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- (CAS 4136-26-9) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one
Also Known As: 5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one, 5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one, z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-, 5,6-dimethoxy-3,3-dimethyl-1-indanone, 3,3-dimethyl-5,6-dimethoxy-1-indanone
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 4136-26-9 |
|---|---|
| SMILES | CC1(CC(=O)C2=CC(=C(C=C21)OC)OC)C |
| InChIKey | KYEDLQFODOWDRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- (CAS 4136-26-9), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one.
Chemical Property Profile of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-
Property Insights of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-. With a topological polar surface area (TPSA) of 35.5 Ų, z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- has 0 hydrogen bond donor(s) and 3 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 z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-?
The CAS number of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- is 4136-26-9.
What is the molecular formula of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-?
The molecular formula of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- is C13H16O3.
What is the molecular weight of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-?
The molecular weight of z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- is 220.11 g/mol.
Where can I buy z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-?
You can request a quote for z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for z1-Indanone, 5,6-dimethoxy-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.