EINECS 259-947-5
TL;DR: EINECS 259-947-5 (CAS 56015-03-3) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-6,6-dimethylcyclohex-4-ene-1,3-dione
Also Known As: EINECS 259-947-5, (E)-3-Hydroxy-5-methoxy-4,4-dimethyl-2-(1-oxo-3-phenylpropen-2-yl)cyclohexa-2,5-dien-1-one, (2E)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-6,6-dimethylcyclohex-4-ene-1,3-dione, -3-hydroxy-5-methoxy-4,4-dimethyl-2- cyclohexa-2,5-dien-1-one, 3-hydroxy-5-methoxy-4,4-dimethyl-2-[(2E)-3-phenylprop-2-enoyl]cyclohexa-2,5-dien-1-one
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.2202 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 691.0571 |
Chemical Identifiers
| CAS Number | 56015-03-3 |
|---|---|
| SMILES | CC1(C(=CC(=O)/C(=C(/C=C/C2=CC=CC=C2)\O)/C1=O)OC)C |
Product Overview
EINECS 259-947-5 (CAS 56015-03-3), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: (2E)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-6,6-dimethylcyclohex-4-ene-1,3-dione.
Chemical Property Profile of EINECS 259-947-5
Property Insights of EINECS 259-947-5
The XLogP value of 3.2202 indicates that EINECS 259-947-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-947-5. Following Lipinski's Rule of Five, EINECS 259-947-5 has 1 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 EINECS 259-947-5?
The CAS number of EINECS 259-947-5 is 56015-03-3.
What is the molecular formula of EINECS 259-947-5?
The molecular formula of EINECS 259-947-5 is C18H18O4.
What is the molecular weight of EINECS 259-947-5?
The molecular weight of EINECS 259-947-5 is 298.12 g/mol.
Where can I buy EINECS 259-947-5?
You can request a quote for EINECS 259-947-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-947-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-947-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.