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CAS 1357351-86-0 tert-butyl 1-(hydroxyMethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate molecular structure lightbox
CAS RN: 1357351-86-0

tert-butyl 1-(hydroxyMethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251121 100mg In stock Shanghai Inquiry
Batchno.20250501 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250820 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250612 250mg In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-044304
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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: 0.25g
  • Available purity: ＞97%
  • 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 1357351-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1357351-86-0 / tert-butyl 1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Standard CAS: 1357351-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357351-86-0
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CO2)CO
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(7-13)4-8(12)5-15-11/h8,13H,4-7H2,1-3H3
InChIKey
MXDZFXHHNOXHLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.11
TPSA
59

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.1
Consensus LogP
0.51
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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