CAS RN: 197447-05-5
2,2-Dihydroxy-1-(4-hydroxyphenyl)ethanone
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.20250804 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-093115
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
197447-05-5 / 2-(4-hydroxyphenyl)-2-oxoacetaldehyde;hydrate
Basic Information
CAS
197447-05-5
Multi CAS
No
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
SMILES
C1=CC(=CC=C1C(=O)C=O)O.O
InChI
InChI=1S/C8H6O3.H2O/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-5,10H;1H2
InChIKey
IKKDQJGLFIXJKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.12
TPSA
85.87
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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