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CAS 133625-87-3 (S)-2,2-DIMETHYL-4-VINYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 133625-87-3

(S)-2,2-DIMETHYL-4-VINYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250129 1g In stock Shanghai Inquiry
Batchno.20251113 250mg In stock Shanghai Inquiry
Batchno.20260313 5g In stock Shanghai Inquiry
  • Product code: SSC-040516
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 133625-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

133625-87-3 / tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Standard CAS: 133625-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133625-87-3
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC1(N([C@H](CO1)C=C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m0/s1
InChIKey
SEDZCRLQHSPEFD-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.09
TPSA
38.77

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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