![CAS 937254-55-2 1′-(Tert-Butoxycarbonyl)-3H-Spiro[Isobenzofuran-1,4′-Piperidine]-3-Carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937254-55-2.gif)
CAS RN: 937254-55-2
1′-(Tert-Butoxycarbonyl)-3H-Spiro[Isobenzofuran-1,4′-Piperidine]-3-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.20250309 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS937254-55-2
- Purity/Analytical Methods: >99.0%
937254-55-2 / 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylic acid
Basic Information
CAS
937254-55-2
Multi CAS
No
Molecular Formula
C18H23NO5
Molecular Weight
333.400000
Exact Mass
333.157623
InChI
InChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-10-8-18(9-11-19)13-7-5-4-6-12(13)14(23-18)15(20)21/h4-7,14H,8-11H2,1-3H3,(H,20,21)
InChIKey
KQOQFYKSAOQUMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.62
TPSA
76.07
LogP / Solubility
WLOGP
3.07
MLOGP
2.72
XLogP3
2.2
Consensus LogP
2.66
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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