6-Deoxypseudoanisatin
TL;DR: 6-Deoxypseudoanisatin (CAS 116085-02-0) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
Also Known As: 6-Deoxypseudoanisatin, 4,5-Dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione, 1,5a-Propano-5aH-cyclopent(d)oxepin-4,10(5H)-dione, hexahydro-8,8a-dihydroxy-1,6,11-trimethyl-, (1S-(1alpha,5aalpha,6beta,8beta,8aalpha,11R*))-, 8,8a-Dihydroxy-1,6,11-trimethylhexahydro-1,5a-propanocyclopenta[d]oxepine-4,10(5H)-dione, (1R,2R,4S,5R,6S,13S)-4,5-Dihydroxy-2,6,13-trimethyl-8-oxa-tricyclo[4.4.3.01,5]tridecane-9,12-dione
Technical Specifications
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.14673 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.14673 Da |
| Heavy Atoms | 20 |
| Complexity | 489.0 |
| SMILES | CC1CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)C)O)O |
| InChIKey | PZVGVKOLTVKLNQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Deoxypseudoanisatin
Property Insights of 6-Deoxypseudoanisatin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Deoxypseudoanisatin. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Deoxypseudoanisatin. Following Lipinski's Rule of Five, 6-Deoxypseudoanisatin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Deoxypseudoanisatin?
The CAS number of 6-Deoxypseudoanisatin is 116085-02-0.
What is the molecular formula of 6-Deoxypseudoanisatin?
The molecular formula of 6-Deoxypseudoanisatin is C15H22O5.
What is the molecular weight of 6-Deoxypseudoanisatin?
The molecular weight of 6-Deoxypseudoanisatin is 282.14673 g/mol.
Where can I buy 6-Deoxypseudoanisatin?
You can request a quote for 6-Deoxypseudoanisatin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Deoxypseudoanisatin?
Yes, CoreyChem provides custom synthesis services for 6-Deoxypseudoanisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.