![CAS 83249-04-1 3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83249-04-1.gif)
CAS RN: 83249-04-1
3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-191127
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: >95%
- Inventory rows with stock: 3
- 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 | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
83249-04-1 / 3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
83249-04-1
Multi CAS
Yes
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
InChI
InChI=1S/C12H12O2/c13-10(14)12-6-11(7-12,8-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
InChIKey
MVSLMXUOSHYKID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.04
TPSA
37.3
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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