![CAS 83249-14-3 methyl 3-bromobicyclo[1.1.1]pentane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83249-14-3.gif)
CAS RN: 83249-14-3
methyl 3-bromobicyclo[1.1.1]pentane-1-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-191133
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 1 In Stock | Beijing | Inquiry |
| 10g | >98% | 0 Out of Stock | Beijing | Inquiry |
83249-14-3 / methyl 3-bromobicyclo[1.1.1]pentane-1-carboxylate
Basic Information
CAS
83249-14-3
Multi CAS
No
Molecular Formula
C7H9BRO2
Molecular Weight
205.050000
Exact Mass
203.978590
InChI
InChI=1S/C7H9BrO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4H2,1H3
InChIKey
UOHVTCOIYSLTIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.96
TPSA
26.3
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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