4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-
TL;DR: 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- (CAS 73013-93-1) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2,3,5,6-tetrahydro-1H-inden-4-one
Also Known As: 7,7-dimethyl-2,3,5,6-tetrahydro-1H-inden-4-one, 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-, 4H-Inden-4-one,1,2,3,5,6,7-hexahydro-7,7-dimethyl, 7,7-Dimethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 73013-93-1 |
|---|---|
| SMILES | CC1(CCC(=O)C2=C1CCC2)C |
| InChIKey | NWPCBUVQCWYOMG-UHFFFAOYSA-N |
Product Overview
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- (CAS 73013-93-1), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 7,7-dimethyl-2,3,5,6-tetrahydro-1H-inden-4-one.
Chemical Property Profile of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-
Property Insights of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- has 0 hydrogen bond donor(s) and 1 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 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-?
The CAS number of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- is 73013-93-1.
What is the molecular formula of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-?
The molecular formula of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- is C11H16O.
What is the molecular weight of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-?
The molecular weight of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- is 164.12 g/mol.
Where can I buy 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-?
You can request a quote for 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.