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CAS 152786-10-2 (2R,3R)-2-amino-3-methylpentan-1-ol molecular structure lightbox
CAS RN: 152786-10-2

(2R,3R)-2-amino-3-methylpentan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg / 250mg / 1g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS152786-10-2
  • Purity/Analytical Methods: >99.0%
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152786-10-2 / (2R,3R)-2-amino-3-methylpentan-1-ol

Standard CAS: 152786-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152786-10-2
Multi CAS
No
Molecular Formula
C6H15NO
Molecular Weight
117.190000
Exact Mass
117.115364
SMILES
CC[C@@H](C)[C@H](CO)N
InChI
InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m1/s1
InChIKey
VTQHAQXFSHDMHT-RITPCOANSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.52
TPSA
46.25

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.4
Consensus LogP
0.35
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-3.18

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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