CAS RN: 672325-36-9

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS672325-36-9
  • Purity/Analytical Methods: >99.0%
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672325-36-9 / 1-(2-aminoethyl)pyrrolidin-3-ol

Standard CAS: 672325-36-9 Multi CAS: Yes

Basic Information

CAS
672325-36-9
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
InChIKey
ZNLCTCNYKCENHP-UHFFFAOYSA-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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