CAS RN: 2295-58-1
2′,4′,6′-Trihydroxypropiophenone
Product Availability
Choose a grade to view its available package options.
12 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250710 | 100mg | Out of stock | Inquiry | |
| Batchno.20260210 | 1g | Out of stock | Inquiry | |
| Batchno.20250714 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260403 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250611 | 250mg | Out of stock | Inquiry | |
| Batchno.20260608 | 25mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260506 | 5g | Out of stock | Inquiry |
- Product code: ICTT0887
- Purity/Analytical Methods: >98.0%(GC)(T)
2295-58-1 / 1-(2,4,6-trihydroxyphenyl)propan-1-one
Basic Information
CAS
2295-58-1
Multi CAS
No
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
CCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChIKey
PTHLEKANMPKYDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.06
TPSA
77.76
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
