2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- (CAS 107811-52-9) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylbutyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Sch 38548, 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-, 2-(2-Ethylbutyl)-6-methoxy-2,5-cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 107811-52-9 |
|---|---|
| SMILES | CCC(CC)CC1=CC(=O)C=C(C1=O)OC |
| InChIKey | VRANCCWRMSFZHD-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- (CAS 107811-52-9), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-(2-ethylbutyl)-6-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-. With a topological polar surface area (TPSA) of 43.4 Ų, 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- has 0 hydrogen bond donor(s) and 3 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 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- is 107811-52-9.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- is C13H18O3.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- is 222.13 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 2-(2-ethylbutyl)-6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.