CAS RN: 74495-74-2
4-HYDROXY-3-METHOXYBENZALDEHYDE-D3
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250409 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: SSC-183945
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
74495-74-2 / 4-hydroxy-3-(trideuteriomethoxy)benzaldehyde
Basic Information
CAS
74495-74-2
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
155.170000
Exact Mass
155.066174
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3
InChIKey
MWOOGOJBHIARFG-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.05
TPSA
46.53
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-2.79
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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