Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
51175-81-6 / 1-bromo-1-nitrocyclobutane
Basic Information
CAS
51175-81-6
Multi CAS
No
Molecular Formula
BC4H6O2Rn
Molecular Weight
180.000000
Exact Mass
178.958190
InChI
InChI=1S/C4H6BrNO2/c5-4(6(7)8)2-1-3-4/h1-3H2
InChIKey
HVPMGMYXQOVLBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.5
TPSA
43.14
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.73
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
