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CAS 188345-71-3 2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]hept-5-ene molecular structure lightbox
CAS RN: 188345-71-3

2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]hept-5-ene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250105 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260211 200mg / 1g / 5g Confirm by inquiry Shandong Inquiry
Batchno.20260316 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260104 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-087608
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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: 1g, 0.25g, 5g, 0.1g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 188345-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

188345-71-3 / tert-butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Standard CAS: 188345-71-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
188345-71-3
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(C)(C)OC(=O)N1CC2CC1C=C2
InChI
InChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-7-8-4-5-9(12)6-8/h4-5,8-9H,6-7H2,1-3H3
InChIKey
ZATXHTCUZAWODK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.98
TPSA
29.54

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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