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CAS 198211-13-1 Carbamic acid, N-3-oxa-9-azabicyclo[3.3.1]non-7-yl-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 198211-13-1

Carbamic acid, N-3-oxa-9-azabicyclo[3.3.1]non-7-yl-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-093409
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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: ≥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 198211-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

198211-13-1 / tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate

Standard CAS: 198211-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198211-13-1
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC(=O)NC1CC2COCC(C1)N2
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-4-9-6-16-7-10(5-8)13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
PJGMDHUHBZCJMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.92
TPSA
59.59

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.47

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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