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CAS 130931-83-8 (1S,4R)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one molecular structure lightbox
CAS RN: 130931-83-8

(1S,4R)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100g In stock Tianjin Inquiry
Batchno.20260607 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251022 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251017 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250417 250mg In stock Wuhan, Chengdu Inquiry
Batchno.20250628 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250818 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-037468
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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: 25g, 100g, 5g, 10g, 1g, 0.25g, 500g
  • 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 130931-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

130931-83-8 / (1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one

Standard CAS: 130931-83-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130931-83-8
Multi CAS
No
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
SMILES
C1[C@@H]2C=C[C@H]1NC2=O
InChI
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
InChIKey
DDUFYKNOXPZZIW-CRCLSJGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.18
TPSA
29.1

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very 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)
-3.34

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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