Sorbophenone, E,E-
TL;DR: Sorbophenone, E,E- (CAS 57309-79-2) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-1-(2-hydroxy-4-methoxyphenyl)hexa-2,4-dien-1-one
Also Known As: Sorbophenone, E,E-, (2E,4E)-1-(2-hydroxy-4-methoxyphenyl)hexa-2,4-dien-1-one
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.7158 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 430.8039 |
Chemical Identifiers
| CAS Number | 57309-79-2 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)C1=C(C=C(C=C1)OC)O |
Product Overview
Sorbophenone, E,E- (CAS 57309-79-2), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: (2E,4E)-1-(2-hydroxy-4-methoxyphenyl)hexa-2,4-dien-1-one.
Chemical Property Profile of Sorbophenone, E,E-
Property Insights of Sorbophenone, E,E-
The XLogP value of 2.7158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sorbophenone, E,E-. With a topological polar surface area (TPSA) of 46.53 Ų, Sorbophenone, E,E- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sorbophenone, E,E- has 1 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 Sorbophenone, E,E-?
The CAS number of Sorbophenone, E,E- is 57309-79-2.
What is the molecular formula of Sorbophenone, E,E-?
The molecular formula of Sorbophenone, E,E- is C13H14O3.
What is the molecular weight of Sorbophenone, E,E-?
The molecular weight of Sorbophenone, E,E- is 218.09 g/mol.
Where can I buy Sorbophenone, E,E-?
You can request a quote for Sorbophenone, E,E- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbophenone, E,E-?
Yes, KEHONG BIO provides custom synthesis services for Sorbophenone, E,E- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.