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CAS 1936222-91-1 3-aminobicyclo[1.1.1]pentan-1-ol molecular structure lightbox
CAS RN: 1936222-91-1

3-aminobicyclo[1.1.1]pentan-1-ol

  • Product code: SSC-091324
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 1936222-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry

1936222-91-1 / 3-aminobicyclo[1.1.1]pentan-1-ol

Standard CAS: 1936222-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936222-91-1
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
SMILES
C1C2(CC1(C2)O)N
InChI
InChI=1S/C5H9NO/c6-4-1-5(7,2-4)3-4/h7H,1-3,6H2
InChIKey
HYBFGSGQMWKDPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.72
TPSA
46.25

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.35
XLogP3
-1
Consensus LogP
-0.58
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly 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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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