Wallichinine
TL;DR: Wallichinine (CAS 125292-97-9) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
Also Known As: Wallichinine, 4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4-[2-(3,4-dimethoxyphenyl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-, 4-[(1E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one, 4-[2-(3,4-Dimethoxyphenyl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propenyl)-2,5-cyclohexadien-1-one
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 125292-97-9 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC |
| InChIKey | VKYZYTYFGUQBLS-UHFFFAOYSA-N |
Product Overview
Wallichinine (CAS 125292-97-9), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: 4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of Wallichinine
Property Insights of Wallichinine
The XLogP value of 4.0 indicates that Wallichinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Wallichinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Wallichinine has 0 hydrogen bond donor(s) and 5 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 Wallichinine?
The CAS number of Wallichinine is 125292-97-9.
What is the molecular formula of Wallichinine?
The molecular formula of Wallichinine is C22H26O5.
What is the molecular weight of Wallichinine?
The molecular weight of Wallichinine is 370.18 g/mol.
Where can I buy Wallichinine?
You can request a quote for Wallichinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wallichinine?
Yes, KEHONG BIO provides custom synthesis services for Wallichinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.