1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-
TL;DR: 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- (CAS 60713-96-4) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,7a-trimethyl-2,5,6,7-tetrahydroinden-1-one
Also Known As: 4,4,7a-trimethyl-2,5,6,7-tetrahydroinden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-1H-inden-1-one, 4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-1-one, 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-, 4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-1-one #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 60713-96-4 |
|---|---|
| SMILES | CC1(CCCC2(C1=CCC2=O)C)C |
| InChIKey | GXSVQZVTXJFCJO-UHFFFAOYSA-N |
Product Overview
1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- (CAS 60713-96-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4,4,7a-trimethyl-2,5,6,7-tetrahydroinden-1-one.
Chemical Property Profile of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-
Property Insights of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- 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 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-?
The CAS number of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- is 60713-96-4.
What is the molecular formula of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-?
The molecular formula of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- is C12H18O.
What is the molecular weight of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-?
The molecular weight of 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- is 178.14 g/mol.
Where can I buy 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-?
You can request a quote for 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.