Isocajucarinolide
TL;DR: Isocajucarinolide (CAS 147741-98-8) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione
Also Known As: Isocajucarinolide, 5'-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione, 5'-(2-Hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-dione, Spiro(furan-3(2H),1'(7'H)-naphthalene)-2,7'-dione, 5-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)-2',3',4,4',4'a,5,8',8'a-octahydro-2',5'-dimethyl-, RefChem:149133
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 1.6713 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 719.42596 |
Chemical Identifiers
| CAS Number | 147741-98-8 |
|---|---|
| SMILES | CC1CCC2C(C13CC(OC3=O)C4=CC(=O)OC4O)CC(=O)C=C2C |
Product Overview
Isocajucarinolide (CAS 147741-98-8), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: 5'-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione.
Chemical Property Profile of Isocajucarinolide
Property Insights of Isocajucarinolide
The XLogP value of 1.6713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocajucarinolide. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocajucarinolide. Following Lipinski's Rule of Five, Isocajucarinolide has 1 hydrogen bond donor(s) and 6 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 Isocajucarinolide?
The CAS number of Isocajucarinolide is 147741-98-8.
What is the molecular formula of Isocajucarinolide?
The molecular formula of Isocajucarinolide is C19H22O6.
What is the molecular weight of Isocajucarinolide?
The molecular weight of Isocajucarinolide is 346.14 g/mol.
Where can I buy Isocajucarinolide?
You can request a quote for Isocajucarinolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocajucarinolide?
Yes, KEHONG BIO provides custom synthesis services for Isocajucarinolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.