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CAS 540787-75-5 (3S)-1-(2-AMINOETHYL)-3-PYRROLIDINOL molecular structure lightbox
CAS RN: 540787-75-5

(3S)-1-(2-AMINOETHYL)-3-PYRROLIDINOL

  • Product code: SSC-161614
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 540787-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

540787-75-5 / 1-(2-aminoethyl)pyrrolidin-3-ol

Standard CAS: 540787-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
540787-75-5
Multi CAS
Yes
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
InChI
InChI=1S/C6H14N2O/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5,7H2/t6-/m0/s1
InChIKey
ZNLCTCNYKCENHP-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.12
TPSA
49.49

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.88
XLogP3
-1.2
Consensus LogP
-1.02
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.07
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.22

Drug-likeness / Medicinal Chemistry

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

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