Taxagifine
TL;DR: Taxagifine (CAS 81489-69-2) is a chemical compound with molecular formula C37H44O13 and molecular weight 696.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl) 3-phenylprop-2-enoate
Also Known As: Taxagifine
| Molecular Formula | C37H44O13 |
|---|---|
| Molecular Weight | 696.28 g/mol |
| LogP | 3.0497 |
| Topological Polar Surface Area | 178.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.2782 |
| Heavy Atoms | 50 |
| Complexity | 1634.202 |
Chemical Identifiers
| CAS Number | 81489-69-2 |
|---|---|
| SMILES | CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C=CC5=CC=CC=C5 |
Product Overview
Taxagifine (CAS 81489-69-2), with molecular formula C37H44O13 and molecular weight 696.28 g/mol. IUPAC: (3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl) 3-phenylprop-2-enoate.
Chemical Property Profile of Taxagifine
Property Insights of Taxagifine
The XLogP value of 3.0497 indicates that Taxagifine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.03 Ų indicates high polarity, suggesting Taxagifine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxagifine has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxagifine?
The CAS number of Taxagifine is 81489-69-2.
What is the molecular formula of Taxagifine?
The molecular formula of Taxagifine is C37H44O13.
What is the molecular weight of Taxagifine?
The molecular weight of Taxagifine is 696.28 g/mol.
Where can I buy Taxagifine?
You can request a quote for Taxagifine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxagifine?
Yes, KEHONG BIO provides custom synthesis services for Taxagifine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.