CAS RN: 3592-47-0
BENZALDEHYDE-ALPHA-D1
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260110 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS3592-47-0
- Purity/Analytical Methods: >99.0%
3592-47-0 / deuterio(phenyl)methanone
Basic Information
CAS
3592-47-0
Multi CAS
Yes
Molecular Formula
C7H6O
Molecular Weight
107.130000
Exact Mass
107.048142
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6D
InChIKey
HUMNYLRZRPPJDN-RAMDWTOOSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
31.83
TPSA
17.07
LogP / Solubility
WLOGP
1.5
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.3
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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- Product Code: starshine_CAS3592-82-3
- Purity/Analytical method: >99.0%
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