Torquatone
TL;DR: Torquatone (CAS 3567-96-2) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one
Also Known As: NCIOpen2_004597, 3-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one, NCI60_041838, 3-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)-1-butanone, TORQUATONE
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 3567-96-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)C(=O)CC(C)C)OC)C)OC |
| InChIKey | PYUCCSKQLHUKCA-UHFFFAOYSA-N |
Product Overview
Torquatone (CAS 3567-96-2), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 3-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one.
Chemical Property Profile of Torquatone
Property Insights of Torquatone
The XLogP value of 3.5 indicates that Torquatone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Torquatone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Torquatone has 0 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 Torquatone?
The CAS number of Torquatone is 3567-96-2.
What is the molecular formula of Torquatone?
The molecular formula of Torquatone is C16H24O4.
What is the molecular weight of Torquatone?
The molecular weight of Torquatone is 280.17 g/mol.
Where can I buy Torquatone?
You can request a quote for Torquatone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Torquatone?
Yes, KEHONG BIO provides custom synthesis services for Torquatone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.