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CAS 106819-03-8 R-2-Aminoctanoic acid molecular structure lightbox
CAS RN: 106819-03-8

R-2-Aminoctanoic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS106819-03-8
  • Purity/Analytical Methods: >99.0%
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106819-03-8 / (2R)-2-aminooctanoic acid

2-Aminooctanoic acid | dl-2-Aminocaprylic acid | Octanoic acid, 2-amino-

Standard CAS: 106819-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106819-03-8
Multi CAS
Yes
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
SMILES
CCCCCC[C@H](C(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m1/s1
InChIKey
AKVBCGQVQXPRLD-SSDOTTSWSA-N
Synonyms
2-Aminooctanoic acid dl-2-Aminocaprylic acid Octanoic acid, 2-amino- (+-)-2-Aminooctanoic acid Caprylic acid, alpha-amino-

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.37
TPSA
63.32

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
-0.5
Consensus LogP
0.69
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.72

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
2

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