1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-
TL;DR: 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- (CAS 90534-01-3) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,4,7,7a-hexahydroinden-1-one
Also Known As: 2,3,3a,4,7,7a-hexahydroinden-1-one, 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-, (+/-)-bicyclo[4.3.0]non-3-en-7-on, 2,3,3a,4,7,7a-Hexahydro-1H-inden-1-one, 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-, trans-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 90534-01-3 |
|---|---|
| SMILES | C1CC(=O)C2C1CC=CC2 |
| InChIKey | LOJATDUUSCWAOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- (CAS 90534-01-3), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2,3,3a,4,7,7a-hexahydroinden-1-one.
Chemical Property Profile of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-
Property Insights of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- 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, 2,3,3a,4,7,7a-hexahydro-?
The CAS number of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- is 90534-01-3.
What is the molecular formula of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-?
The molecular formula of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- is C9H12O.
What is the molecular weight of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-?
The molecular weight of 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- is 136.09 g/mol.
Where can I buy 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro-?
You can request a quote for 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- 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, 2,3,3a,4,7,7a-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, 2,3,3a,4,7,7a-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.