octahydro-1H-indene-1,7-dione
TL;DR: octahydro-1H-indene-1,7-dione (CAS 90534-39-7) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3a,4,5,6,7a-hexahydro-2H-indene-1,7-dione
Also Known As: octahydro-1H-indene-1,7-dione, Hexahydro-1H-indene-1,7(7aH)-dione, 3,3a,4,5,6,7a-hexahydro-2H-indene-1,7-dione, 982-015-0, RefChem:855815
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 90534-39-7 |
|---|---|
| SMILES | C1CC2CCC(=O)C2C(=O)C1 |
| InChIKey | QPYDYNMZXFQNEK-UHFFFAOYSA-N |
Product Overview
octahydro-1H-indene-1,7-dione (CAS 90534-39-7), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 3,3a,4,5,6,7a-hexahydro-2H-indene-1,7-dione.
Chemical Property Profile of octahydro-1H-indene-1,7-dione
Property Insights of octahydro-1H-indene-1,7-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for octahydro-1H-indene-1,7-dione. With a topological polar surface area (TPSA) of 34.1 Ų, octahydro-1H-indene-1,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octahydro-1H-indene-1,7-dione has 0 hydrogen bond donor(s) and 2 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 octahydro-1H-indene-1,7-dione?
The CAS number of octahydro-1H-indene-1,7-dione is 90534-39-7.
What is the molecular formula of octahydro-1H-indene-1,7-dione?
The molecular formula of octahydro-1H-indene-1,7-dione is C9H12O2.
What is the molecular weight of octahydro-1H-indene-1,7-dione?
The molecular weight of octahydro-1H-indene-1,7-dione is 152.08 g/mol.
Where can I buy octahydro-1H-indene-1,7-dione?
You can request a quote for octahydro-1H-indene-1,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octahydro-1H-indene-1,7-dione?
Yes, KEHONG BIO provides custom synthesis services for octahydro-1H-indene-1,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.