1,2,3,6,7,7a-Hexahydro-5H-inden-5-one
TL;DR: 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one (CAS 14937-56-5) 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.
1,2,3,6,7,7a-hexahydroinden-5-one
Also Known As: LDRDSZBEUAPYIR-UHFFFAOYSA-, 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one, 1,2,3,6,7,7a-hexahydroinden-5-one, 5,6,7,7a-tetrahydroindan-5-one, Bicyclo[4.3.0]non-1-en-3-one
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.4 |
| 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 | 191.0 |
Chemical Identifiers
| CAS Number | 14937-56-5 |
|---|---|
| SMILES | C1CC2CCC(=O)C=C2C1 |
| InChIKey | LDRDSZBEUAPYIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6,7,7a-Hexahydro-5H-inden-5-one (CAS 14937-56-5), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 1,2,3,6,7,7a-hexahydroinden-5-one.
Chemical Property Profile of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one
Property Insights of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one 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 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one?
The CAS number of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one is 14937-56-5.
What is the molecular formula of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one?
The molecular formula of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one is C9H12O.
What is the molecular weight of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one?
The molecular weight of 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one is 136.09 g/mol.
Where can I buy 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one?
You can request a quote for 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6,7,7a-Hexahydro-5H-inden-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.