Neopetasitenine
TL;DR: Neopetasitenine (CAS 60409-51-0) 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'R,4R,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: Neopetasitenine, Acetylfukinotoxin, acetylpetasitenine, Neopetasitenine[neutral], Florosenine (neutral) (8CI)
| 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 | 60409-51-0 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2([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
Neopetasitenine (CAS 60409-51-0), with molecular formula C21H29NO8 and molecular weight 423.19 g/mol. IUPAC: [(1R,3'R,4R,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 Neopetasitenine
Property Insights of Neopetasitenine
The XLogP value of 0.7915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopetasitenine. The TPSA of 111.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Neopetasitenine. Following Lipinski's Rule of Five, Neopetasitenine 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 Neopetasitenine?
The CAS number of Neopetasitenine is 60409-51-0.
What is the molecular formula of Neopetasitenine?
The molecular formula of Neopetasitenine is C21H29NO8.
What is the molecular weight of Neopetasitenine?
The molecular weight of Neopetasitenine is 423.19 g/mol.
Where can I buy Neopetasitenine?
You can request a quote for Neopetasitenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopetasitenine?
Yes, KEHONG BIO provides custom synthesis services for Neopetasitenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.