Tagetonol
TL;DR: Tagetonol (CAS 23007-34-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-2,6-dimethyloct-7-en-4-one
Also Known As: Tagetonol, 6-hydroxy-2,6-dimethyloct-7-en-4-one, (+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one, 6-Hydroxy-2,6-dimethyl-7-octene-4-one, 7-Octen-4-one, 6-hydroxy-2,6-dimethyl-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 23007-34-3 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C)(C=C)O |
| InChIKey | HPKAJXIDKBSLHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tagetonol (CAS 23007-34-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 6-hydroxy-2,6-dimethyloct-7-en-4-one.
Chemical Property Profile of Tagetonol
Property Insights of Tagetonol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tagetonol. With a topological polar surface area (TPSA) of 37.3 Ų, Tagetonol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tagetonol has 1 hydrogen bond donor(s) and 2 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 Tagetonol?
The CAS number of Tagetonol is 23007-34-3.
What is the molecular formula of Tagetonol?
The molecular formula of Tagetonol is C10H18O2.
What is the molecular weight of Tagetonol?
The molecular weight of Tagetonol is 170.13 g/mol.
Where can I buy Tagetonol?
You can request a quote for Tagetonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tagetonol?
Yes, KEHONG BIO provides custom synthesis services for Tagetonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.