Evodone
TL;DR: Evodone (CAS 529-63-5) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
Also Known As: Evodone, (6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one, (6S)-3,6-dimethyl-6,7-dihydro-5H-benzofuran-4-one, (6S)-3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 529-63-5 |
|---|---|
| SMILES | C[C@H]1CC2=C(C(=CO2)C)C(=O)C1 |
| InChIKey | SMUXTLISYBPIAU-ZCFIWIBFSA-N |
Product Overview
Evodone (CAS 529-63-5), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one.
Chemical Property Profile of Evodone
Property Insights of Evodone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Evodone. With a topological polar surface area (TPSA) of 30.2 Ų, Evodone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Evodone has 0 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 Evodone?
The CAS number of Evodone is 529-63-5.
What is the molecular formula of Evodone?
The molecular formula of Evodone is C10H12O2.
What is the molecular weight of Evodone?
The molecular weight of Evodone is 164.08 g/mol.
Where can I buy Evodone?
You can request a quote for Evodone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Evodone?
Yes, KEHONG BIO provides custom synthesis services for Evodone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.