Taxayunnansin A
TL;DR: Taxayunnansin A (CAS 153229-31-3) is a chemical compound with molecular formula C35H44O13 and molecular weight 672.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,9,11,16-tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
Also Known As: Taxayunnansin A, Taxayuntin, [(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0^{3,7.0^{13,16]hexadec-6-en-8-yl] benzoate, [2,9,11,16-tetraacetoxy-5-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate, [2,9,11,16-Tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
| Molecular Formula | C35H44O13 |
|---|---|
| Molecular Weight | 672.28 g/mol |
| LogP | 2.586 |
| Topological Polar Surface Area | 181.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 672.2782 |
| Heavy Atoms | 48 |
| Complexity | 1528.0847 |
Chemical Identifiers
| CAS Number | 153229-31-3 |
|---|---|
| SMILES | CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C5=CC=CC=C5 |
Product Overview
Taxayunnansin A (CAS 153229-31-3), with molecular formula C35H44O13 and molecular weight 672.28 g/mol. IUPAC: [2,9,11,16-tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate.
Chemical Property Profile of Taxayunnansin A
Property Insights of Taxayunnansin A
The XLogP value of 2.586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taxayunnansin A. The TPSA of 181.19 Ų indicates high polarity, suggesting Taxayunnansin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxayunnansin A has 2 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 Taxayunnansin A?
The CAS number of Taxayunnansin A is 153229-31-3.
What is the molecular formula of Taxayunnansin A?
The molecular formula of Taxayunnansin A is C35H44O13.
What is the molecular weight of Taxayunnansin A?
The molecular weight of Taxayunnansin A is 672.28 g/mol.
Where can I buy Taxayunnansin A?
You can request a quote for Taxayunnansin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxayunnansin A?
Yes, KEHONG BIO provides custom synthesis services for Taxayunnansin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.