![CAS 332187-61-8 6-CHLORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDINE]-1′-CARBOXYLIC ACID 1,1-DIMETHYL ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332187-61-8.gif)
CAS RN: 332187-61-8
6-CHLORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDINE]-1′-CARBOXYLIC ACID 1,1-DIMETHYL ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260215 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-139210
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
332187-61-8 / tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
Basic Information
CAS
332187-61-8
Multi CAS
Yes
Molecular Formula
C17H21CLN2O4
Molecular Weight
352.800000
Exact Mass
352.118985
InChI
InChI=1S/C17H21ClN2O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(21)23-17/h4-5,10H,6-9H2,1-3H3,(H,19,21)
InChIKey
ORBJFEDABMATJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.27
TPSA
67.87
LogP / Solubility
WLOGP
4.13
MLOGP
3.65
XLogP3
2.9
Consensus LogP
3.56
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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