Thellungianin G
TL;DR: Thellungianin G (CAS 97180-28-4) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2-methylbutanoate
Also Known As: Thellungianin G, epoxypseudoisoeugenol-2-methylbutyrate, Epoxypseudobisoeugenyl-2-methylbutyrate, Epoxypseudoisoeugenol 2-methylbutyrate, Epoxypseudoisoeugenol 2-methylbutanoate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 97180-28-4 |
|---|---|
| SMILES | CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C2C(O2)C |
| InChIKey | VXWVNVFBEJTTKA-UHFFFAOYSA-N |
Product Overview
Thellungianin G (CAS 97180-28-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: [4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2-methylbutanoate.
Chemical Property Profile of Thellungianin G
Property Insights of Thellungianin G
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thellungianin G. With a topological polar surface area (TPSA) of 48.1 Ų, Thellungianin G exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thellungianin G 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 Thellungianin G?
The CAS number of Thellungianin G is 97180-28-4.
What is the molecular formula of Thellungianin G?
The molecular formula of Thellungianin G is C15H20O4.
What is the molecular weight of Thellungianin G?
The molecular weight of Thellungianin G is 264.14 g/mol.
Where can I buy Thellungianin G?
You can request a quote for Thellungianin G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thellungianin G?
Yes, KEHONG BIO provides custom synthesis services for Thellungianin G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.