Isoquadrone
TL;DR: Isoquadrone (CAS 81130-69-0) 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.
5,12,12-trimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione
Also Known As: Isoquadrone, 2H-5,7b-Ethanoindeno(1,7-bc)furan-2,7(7ah)-dione, hexahydro-7a,9,9-trimethyl-, (2aR-(2a-alpha,5-alpha,5a-beta,7a-alpha,7b-alpha)-, 7a,9,9-Trimethylhexahydro-2H-5,7b-ethanoindeno[1,7-bc]furan-2,7(7aH)-dione, BRN 5280366, RefChem:268418
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.3334 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 480.13037 |
Chemical Identifiers
| CAS Number | 81130-69-0 |
|---|---|
| SMILES | CC1(CC23C4CCC1C2CC(=O)C3(OC4=O)C)C |
Product Overview
Isoquadrone (CAS 81130-69-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 5,12,12-trimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione.
Chemical Property Profile of Isoquadrone
Property Insights of Isoquadrone
The XLogP value of 2.3334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquadrone. With a topological polar surface area (TPSA) of 43.37 Ų, Isoquadrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquadrone 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 Isoquadrone?
The CAS number of Isoquadrone is 81130-69-0.
What is the molecular formula of Isoquadrone?
The molecular formula of Isoquadrone is C15H20O3.
What is the molecular weight of Isoquadrone?
The molecular weight of Isoquadrone is 248.14 g/mol.
Where can I buy Isoquadrone?
You can request a quote for Isoquadrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquadrone?
Yes, KEHONG BIO provides custom synthesis services for Isoquadrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.