Tetra-Ac-niv
TL;DR: Tetra-Ac-niv (CAS 14287-83-3) is a chemical compound with molecular formula C23H28O11 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3S,7R,10R,11S,12S)-3,10,11-triacetyloxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Tetra-Ac-niv, Nivalenol tetraacetate, KST-1A3725, KST-1A3726, 3a,4b,7a,15-Tetracetoxy-12,13-epoxy-trichothec-9-en-8-one
| Molecular Formula | C23H28O11 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.16315 |
| Heavy Atoms | 34 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 14287-83-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)OC(=O)C)([C@]3([C@@H]([C@H](C([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C |
| InChIKey | HKXFBXFPGBNOQH-TVZBXTJGSA-N |
Product Overview
Tetra-Ac-niv (CAS 14287-83-3), with molecular formula C23H28O11 and molecular weight 480.16 g/mol. IUPAC: [(1S,2S,3S,7R,10R,11S,12S)-3,10,11-triacetyloxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of Tetra-Ac-niv
Property Insights of Tetra-Ac-niv
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetra-Ac-niv. The TPSA of 144.0 Ų indicates high polarity, suggesting Tetra-Ac-niv may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetra-Ac-niv has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetra-Ac-niv?
The CAS number of Tetra-Ac-niv is 14287-83-3.
What is the molecular formula of Tetra-Ac-niv?
The molecular formula of Tetra-Ac-niv is C23H28O11.
What is the molecular weight of Tetra-Ac-niv?
The molecular weight of Tetra-Ac-niv is 480.16 g/mol.
Where can I buy Tetra-Ac-niv?
You can request a quote for Tetra-Ac-niv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetra-Ac-niv?
Yes, KEHONG BIO provides custom synthesis services for Tetra-Ac-niv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.