Quadrone
TL;DR: Quadrone (CAS 87480-01-1) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
Also Known As: Quadrone, dimethyl[?]dione, Quadrone, (+/-)-, 10,10-Dimethyloctahydro-6,8b-ethanocyclopenta[de]isochromene-1,4-dione, 6,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 87480-01-1 |
|---|---|
| SMILES | CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C |
| InChIKey | BBIDMUQZCCGABN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quadrone (CAS 87480-01-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione.
Chemical Property Profile of Quadrone
Property Insights of Quadrone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quadrone. With a topological polar surface area (TPSA) of 43.4 Ų, Quadrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quadrone has 0 hydrogen bond donor(s) and 3 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 Quadrone?
The CAS number of Quadrone is 87480-01-1.
What is the molecular formula of Quadrone?
The molecular formula of Quadrone is C15H20O3.
What is the molecular weight of Quadrone?
The molecular weight of Quadrone is 248.14 g/mol.
Where can I buy Quadrone?
You can request a quote for Quadrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quadrone?
Yes, KEHONG BIO provides custom synthesis services for Quadrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.