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CAS 951000-34-3 2-Pentanol, 3-amino-, hydrochloride (1:1), (2R,3S)- molecular structure lightbox
CAS RN: 951000-34-3

2-Pentanol, 3-amino-, hydrochloride (1:1), (2R,3S)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS951000-34-3
  • Purity/Analytical Methods: >99.0%
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951000-34-3 / 3-aminopentan-2-ol;hydrochloride

Standard CAS: 951000-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
951000-34-3
Multi CAS
Yes
Molecular Formula
C5H14CLNO
Molecular Weight
139.620000
Exact Mass
139.076392
InChI
InChI=1S/C5H13NO.ClH/c1-3-5(6)4(2)7;/h4-5,7H,3,6H2,1-2H3;1H
InChIKey
KAJAIXQRKSAXTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.2
TPSA
46.25

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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