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CAS 1219802-43-3 3-Aminopentane-d5 molecular structure lightbox
CAS RN: 1219802-43-3

3-Aminopentane-d5

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1219802-43-3
  • Purity/Analytical Methods: >99.0%
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1219802-43-3 / 2,2,3,4,4-pentadeuteriopentan-3-amine

Standard CAS: 1219802-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219802-43-3
Multi CAS
No
Molecular Formula
C5H13N
Molecular Weight
92.190000
Exact Mass
92.136183
SMILES
[2H]C([2H])(C)C([2H])(C([2H])([2H])C)N
InChI
InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3/i3D2,4D2,5D
InChIKey
PQPFFKCJENSZKL-ZDGANNJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.56
TPSA
26.02

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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