![CAS 147950-39-8 Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminocarbonyl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147950-39-8.gif)
CAS RN: 147950-39-8
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminocarbonyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-058408
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
147950-39-8 / 3-carbamoylbicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
147950-39-8
Multi CAS
No
Molecular Formula
C7H9NO3
Molecular Weight
155.150000
Exact Mass
155.058243
SMILES
C1C2(CC1(C2)C(=O)O)C(=O)N
InChI
InChI=1S/C7H9NO3/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H2,8,9)(H,10,11)
InChIKey
FUYAYJYNPZQVKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.55
TPSA
80.39
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.25
XLogP3
-1.1
Consensus LogP
-0.54
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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