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CAS 1319591-13-3 (S)-2-(PIPERAZIN-2-YL)PROPAN-2-OL 2HCL molecular structure lightbox
CAS RN: 1319591-13-3

(S)-2-(PIPERAZIN-2-YL)PROPAN-2-OL 2HCL

  • Product code: SSC-039012
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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, 5g
  • 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 1319591-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1319591-13-3 / 2-[(2S)-piperazin-2-yl]propan-2-ol;dihydrochloride

Standard CAS: 1319591-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1319591-13-3
Multi CAS
No
Molecular Formula
C7H18Cl2N2O
Molecular Weight
217.130000
Exact Mass
216.079619
SMILES
CC(C)([C@@H]1CNCCN1)O.Cl.Cl
InChI
InChI=1S/C7H16N2O.2ClH/c1-7(2,10)6-5-8-3-4-9-6;;/h6,8-10H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKey
HGZHFQRHNUAMJB-ILKKLZGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.45
TPSA
44.29

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
0.16
Consensus LogP
0.15
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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