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CAS 1860028-23-4 3-oxa-6-azabicyclo[3.1.1]heptane hydrochloride molecular structure lightbox
CAS RN: 1860028-23-4

3-oxa-6-azabicyclo[3.1.1]heptane hydrochloride

  • Product code: SSC-086167
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1860028-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 4 In Stock Beijing Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1860028-23-4 / 3-oxa-6-azabicyclo[3.1.1]heptane;hydrochloride

Standard CAS: 1860028-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1860028-23-4
Multi CAS
No
Molecular Formula
C5H10ClNO
Molecular Weight
135.590000
Exact Mass
135.045092
SMILES
C1C2COCC1N2.Cl
InChI
InChI=1S/C5H9NO.ClH/c1-4-2-7-3-5(1)6-4;/h4-6H,1-3H2;1H
InChIKey
AYUSQPYENICWNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.4
TPSA
21.26

LogP / Solubility

WLOGP
0.17
MLOGP
0.14
XLogP3
0.17
Consensus LogP
0.16
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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