CAS RN: 284474-52-8
4-HYDROXYBENZALDEHYDE-2,3,5,6-D4
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.20260313 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS284474-52-8
- Purity/Analytical Methods: >99.0%
284474-52-8 / 2,3,5,6-tetradeuterio-4-hydroxybenzaldehyde
Basic Information
CAS
284474-52-8
Multi CAS
No
Molecular Formula
C7H6O2
Molecular Weight
126.150000
Exact Mass
126.061886
InChI
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i1D,2D,3D,4D
InChIKey
RGHHSNMVTDWUBI-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.49
TPSA
37.3
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.61
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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