pseudoanisatin
TL;DR: pseudoanisatin (CAS 31090-37-6) is a chemical compound with molecular formula C15H22O6 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,13R)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
Also Known As: pseudoanisatin, (+)-Pseudoanisatin, KBio2_002475, (6R,8S,8aR,11R)-8,8a,11-trihydroxy-1,6,11-trimethylhexahydro-1,5a-propanocyclopenta[d]oxepine-4,10(5H)-dione, 8,8a,11-Trihydroxy-1,6,11-trimethylhexahydro-1,5a-propanocyclopenta(d)oxepine-4,10(5H)-dione
| Molecular Formula | C15H22O6 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.14163 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 31090-37-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@]2(C13CC(=O)[C@](C2(COC(=O)C3)C)(C)O)O)O |
| InChIKey | NOHXYGXFTACADH-VXVUZNDESA-N |
Product Overview
pseudoanisatin (CAS 31090-37-6), with molecular formula C15H22O6 and molecular weight 298.14 g/mol. IUPAC: (2R,4S,5R,13R)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione.
Chemical Property Profile of pseudoanisatin
Property Insights of pseudoanisatin
The XLogP value of -0.8 indicates that pseudoanisatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for pseudoanisatin. Following Lipinski's Rule of Five, pseudoanisatin has 3 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 pseudoanisatin?
The CAS number of pseudoanisatin is 31090-37-6.
What is the molecular formula of pseudoanisatin?
The molecular formula of pseudoanisatin is C15H22O6.
What is the molecular weight of pseudoanisatin?
The molecular weight of pseudoanisatin is 298.14 g/mol.
Where can I buy pseudoanisatin?
You can request a quote for pseudoanisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pseudoanisatin?
Yes, KEHONG BIO provides custom synthesis services for pseudoanisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.