Neoanisatin
TL;DR: Neoanisatin (CAS 19213-35-5) is a chemical compound with molecular formula C15H20O7 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
Also Known As: Neoanisatin, KST-1A2388, Morphinan-4-ol,17-(cyclopropylmethyl)-14-methoxy, (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione, Hexahydro-1,5,6a-trihydroxy-5,9-dimethylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione (1R-(1alpha,4beta,5beta,6beta,6aalpha,9alpha,9abeta))-
| Molecular Formula | C15H20O7 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.1209 |
| Heavy Atoms | 22 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 19213-35-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O |
| InChIKey | OHFIOPJOZFMKFF-HIIDGFEESA-N |
Product Overview
Neoanisatin (CAS 19213-35-5), with molecular formula C15H20O7 and molecular weight 312.12 g/mol. IUPAC: (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione.
Chemical Property Profile of Neoanisatin
Property Insights of Neoanisatin
The XLogP value of -0.9 indicates that Neoanisatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoanisatin. Following Lipinski's Rule of Five, Neoanisatin has 3 hydrogen bond donor(s) and 7 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 Neoanisatin?
The CAS number of Neoanisatin is 19213-35-5.
What is the molecular formula of Neoanisatin?
The molecular formula of Neoanisatin is C15H20O7.
What is the molecular weight of Neoanisatin?
The molecular weight of Neoanisatin is 312.12 g/mol.
Where can I buy Neoanisatin?
You can request a quote for Neoanisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoanisatin?
Yes, KEHONG BIO provides custom synthesis services for Neoanisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.