![CAS 737693-57-1 Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/737693-57-1.gif)
CAS RN: 737693-57-1
Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino- (9CI)
- Product code: SSC-183166
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
737693-57-1 / 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
Basic Information
CAS
737693-57-1
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5,9H2,(H,10,11)
InChIKey
MDYXIODNSNZLHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.07
TPSA
63.32
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
-2.4
Consensus LogP
-0.34
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.15
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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