CAS RN: 1222818-87-2
2′-Hydroxy-3′,4′,6′-trimethoxydihydrochalcone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1222818-87-2
- Purity/Analytical Methods: >99.0%
1222818-87-2 / 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylpropan-1-one
Basic Information
CAS
1222818-87-2
Multi CAS
No
Molecular Formula
C18H20O5
Molecular Weight
316.300000
Exact Mass
316.131074
SMILES
COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)OC)OC
InChI
InChI=1S/C18H20O5/c1-21-14-11-15(22-2)18(23-3)17(20)16(14)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,20H,9-10H2,1-3H3
InChIKey
NFGKDMWKUSDLNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.86
TPSA
64.99
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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