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CAS 201162-53-0 tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate molecular structure lightbox
CAS RN: 201162-53-0

tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-094904
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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: 0.25g, 1g, 5g, 25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 201162-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Beijing Inquiry
10g >97% 4 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

201162-53-0 / tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Standard CAS: 201162-53-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
201162-53-0
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)N2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8/h8-9,12H,4-7H2,1-3H3
InChIKey
PSDAEKDIOQXLLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.75
TPSA
41.57

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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