![CAS 351370-94-0 5-Benzyl-5-aza-spiro[2.4]heptane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/351370-94-0.gif)
CAS RN: 351370-94-0
5-Benzyl-5-aza-spiro[2.4]heptane-7-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS351370-94-0
- Purity/Analytical Methods: >99.0%
351370-94-0 / 5-benzyl-5-azaspiro[2.4]heptane-7-carboxylic acid
Basic Information
CAS
351370-94-0
Multi CAS
No
Molecular Formula
C14H17NO2
Molecular Weight
231.290000
Exact Mass
231.125929
InChI
InChI=1S/C14H17NO2/c16-13(17)12-9-15(10-14(12)6-7-14)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKey
PRAZATCEOJHMET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.51
TPSA
40.54
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
-0.6
Consensus LogP
1.04
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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