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CAS 49805-30-3 2-Azabicyclo[2.2.1]hept-5-en-3-one molecular structure lightbox
CAS RN: 49805-30-3

2-Azabicyclo[2.2.1]hept-5-en-3-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-156111
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 49805-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 3 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

49805-30-3 / 2-azabicyclo[2.2.1]hept-5-en-3-one

Standard CAS: 49805-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49805-30-3
Multi CAS
Yes
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
InChI
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)
InChIKey
DDUFYKNOXPZZIW-UHFFFAOYSA-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

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