CAS RN: 926261-31-6
1-(3-BROMOPHENYL)CYCLOBUTANECARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-206428
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: 5g, 10g, 1g, 0.1g, 0.25g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 1 In Stock | Beijing | Inquiry |
926261-31-6 / 1-(3-bromophenyl)cyclobutane-1-carboxylic acid
Basic Information
CAS
926261-31-6
Multi CAS
No
Molecular Formula
C11H11BRO2
Molecular Weight
255.110000
Exact Mass
253.994240
InChI
InChI=1S/C11H11BrO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKey
VCJRGYDROYTPHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.31
TPSA
37.3
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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