CAS RN: 93111-27-4
4-FLUOROBENZALDEHYDE-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.20250212 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-207141
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
93111-27-4 / 2,3,5,6-tetradeuterio-4-fluorobenzaldehyde
Basic Information
CAS
93111-27-4
Multi CAS
Yes
Molecular Formula
C7FH5O
Molecular Weight
128.140000
Exact Mass
128.057550
InChI
InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H/i1D,2D,3D,4D
InChIKey
UOQXIWFBQSVDPP-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
31.79
TPSA
17.07
LogP / Solubility
WLOGP
1.64
MLOGP
1.43
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.31
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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