2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- (CAS 101339-27-9) is a chemical compound with molecular formula C25H42O3 and molecular weight 390.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-6-octadecylcyclohexa-2,5-diene-1,4-dione
Also Known As: Deoxyirisoquin, 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-, 2-methoxy-6-octadecylcyclohexa-2,5-diene-1,4-dione, 2-Methoxy-6-octadecyl-2,5-cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C25H42O3 |
|---|---|
| Molecular Weight | 390.31 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.3134 |
| Heavy Atoms | 28 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 101339-27-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC |
| InChIKey | FXWNZAIEHCFNRH-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- (CAS 101339-27-9), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: 2-methoxy-6-octadecylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-
The XLogP value of 9.7 indicates that 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- is 101339-27-9.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- is C25H42O3.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- is 390.31 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- 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-methoxy-6-octadecyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.