Tanacetol-b
TL;DR: Tanacetol-b (CAS 86787-28-2) is a chemical compound with molecular formula C17H28O4 and molecular weight 296.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl] acetate
Also Known As: Tanacetol-b, Tanacetol B, Tanecetol B [1S-(1R*,4S*,5E,9S*)], [8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl] acetate, [(2Z)-8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidene-1-cyclodec-2-enyl] acetate
| Molecular Formula | C17H28O4 |
|---|---|
| Molecular Weight | 296.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.19876 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 86787-28-2 |
|---|---|
| SMILES | CC1=CC(CC(=C)C(CC(CC1)C(C)(C)O)O)OC(=O)C |
| InChIKey | WAGDOKQHNWIHJF-UHFFFAOYSA-N |
Product Overview
Tanacetol-b (CAS 86787-28-2), with molecular formula C17H28O4 and molecular weight 296.20 g/mol. IUPAC: [8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl] acetate.
Chemical Property Profile of Tanacetol-b
Property Insights of Tanacetol-b
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tanacetol-b. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tanacetol-b. Following Lipinski's Rule of Five, Tanacetol-b has 2 hydrogen bond donor(s) and 4 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 Tanacetol-b?
The CAS number of Tanacetol-b is 86787-28-2.
What is the molecular formula of Tanacetol-b?
The molecular formula of Tanacetol-b is C17H28O4.
What is the molecular weight of Tanacetol-b?
The molecular weight of Tanacetol-b is 296.20 g/mol.
Where can I buy Tanacetol-b?
You can request a quote for Tanacetol-b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tanacetol-b?
Yes, KEHONG BIO provides custom synthesis services for Tanacetol-b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.