Otosenine 12-acetate
TL;DR: Otosenine 12-acetate (CAS 16958-30-8) is a chemical compound with molecular formula C21H29NO8 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
Also Known As: Florosenine, Acetylfukinotoxin, Ligularizine, Florosenine (neutral), Otosenine 12-acetate
| Molecular Formula | C21H29NO8 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 0.7915 |
| Topological Polar Surface Area | 111.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.18933 |
| Heavy Atoms | 30 |
| Complexity | 791.87585 |
Chemical Identifiers
| CAS Number | 16958-30-8 |
|---|---|
| SMILES | C[C@@H]1CC2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C |
Product Overview
Otosenine 12-acetate (CAS 16958-30-8), with molecular formula C21H29NO8 and molecular weight 423.19 g/mol. IUPAC: [(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate.
Chemical Property Profile of Otosenine 12-acetate
Property Insights of Otosenine 12-acetate
The XLogP value of 0.7915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Otosenine 12-acetate. The TPSA of 111.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Otosenine 12-acetate. Following Lipinski's Rule of Five, Otosenine 12-acetate has 0 hydrogen bond donor(s) and 9 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 Otosenine 12-acetate?
The CAS number of Otosenine 12-acetate is 16958-30-8.
What is the molecular formula of Otosenine 12-acetate?
The molecular formula of Otosenine 12-acetate is C21H29NO8.
What is the molecular weight of Otosenine 12-acetate?
The molecular weight of Otosenine 12-acetate is 423.19 g/mol.
Where can I buy Otosenine 12-acetate?
You can request a quote for Otosenine 12-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Otosenine 12-acetate?
Yes, KEHONG BIO provides custom synthesis services for Otosenine 12-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.