CAS RN: 35237-37-7
(±)-2-aminododecanoic acid
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS35237-37-7
- Purity/Analytical Methods: >99.0%
35237-37-7 / 2-aminododecanoic acid
Basic Information
CAS
35237-37-7
Multi CAS
No
Molecular Formula
C12H25NO2
Molecular Weight
215.330000
Exact Mass
215.188529
InChI
InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)
InChIKey
QUBNFZFTFXTLKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.84
TPSA
63.32
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
1.7
Consensus LogP
2.4
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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