![CAS 1820619-57-5 5-(benzyloxycarbonyl)-5-azaspiro[2.3]hexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820619-57-5.gif)
CAS RN: 1820619-57-5
5-(benzyloxycarbonyl)-5-azaspiro[2.3]hexane-1-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.20260105 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-082844
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 | Shanghai | Inquiry |
1820619-57-5 / 5-phenylmethoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
Basic Information
CAS
1820619-57-5
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
SMILES
C1C(C12CN(C2)C(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C14H15NO4/c16-12(17)11-6-14(11)8-15(9-14)13(18)19-7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKey
RAMMHZWTJIBUFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.38
TPSA
66.84
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- CAS RN: 1820619-77-9
- Product Code: starshine_CAS1820619-77-9
- Purity/Analytical method: >99.0%
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![CAS 1820619-77-9 3-AZASPIRO[5.5]UNDECAN-9-OL HYDROCHLORIDE(WX102571S1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820619-77-9.gif)
