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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
749230-16-8 / 1,4-difluoro-2-(methoxymethoxy)benzene
Basic Information
CAS
749230-16-8
Multi CAS
No
Molecular Formula
C8F2H8O2
Molecular Weight
174.140000
Exact Mass
174.049236
InChI
InChI=1S/C8H8F2O2/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKey
PVPJQNWLCJWHGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
38.86
TPSA
18.46
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.4
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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CK2 INHIBITOR II
- CAS RN: 749234-11-5
- Product Code: starshine_CAS749234-11-5
- Purity/Analytical method: >99.0%
