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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
848841-62-3 / 4-(6-bromopyrazin-2-yl)morpholine
Basic Information
CAS
848841-62-3
Multi CAS
No
Molecular Formula
BC8H10ORn3
Molecular Weight
244.090000
Exact Mass
243.000720
InChI
InChI=1S/C8H10BrN3O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
OVLIISDBFJFQQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.76
TPSA
38.25
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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4-(4-BOC-aminophenyl)phenol
- CAS RN: 848853-75-8
- Product Code: starshine_CAS848853-75-8
- Purity/Analytical method: >99.0%
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