CAS RN: 2875-41-4

N-(3-AMINOPROPYL)GLYCINE DIHYDROCHLORIDE

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Batchno.20260102 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2875-41-4
  • Purity/Analytical Methods: >99.0%
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2875-41-4 / 2-(3-aminopropylamino)acetic acid

Standard CAS: 2875-41-4 Multi CAS: Yes

Basic Information

CAS
2875-41-4
Multi CAS
Yes
Molecular Formula
C5H12N2O2
Molecular Weight
132.160000
Exact Mass
132.089878
InChI
InChI=1S/C5H12N2O2/c6-2-1-3-7-4-5(8)9/h7H,1-4,6H2,(H,8,9)
InChIKey
DHGYLUFLENKZHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.18
TPSA
75.35

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.88
XLogP3
-3.5
Consensus LogP
-1.79
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very 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)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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