CAS RN: 15097-74-2
2,4,4′-Trihydroxydihydrochalcone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260502 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS15097-74-2
- Purity/Analytical Methods: >99.0%
15097-74-2 / 3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Basic Information
CAS
15097-74-2
Multi CAS
No
Molecular Formula
C15H14O4
Molecular Weight
258.270000
Exact Mass
258.089209
SMILES
C1=CC(=CC=C1C(=O)CCC2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H14O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-3,5-7,9,16-17,19H,4,8H2
InChIKey
IVBQZFJZIGYXMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
70.53
TPSA
77.76
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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