CAS RN: 2274-80-8
n-laurylaminoacetic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2274-80-8
- Purity/Analytical Methods: >99.0%
2274-80-8 / 2-(dodecylamino)acetic acid
Basic Information
CAS
2274-80-8
Multi CAS
No
Molecular Formula
C14H29NO2
Molecular Weight
243.390000
Exact Mass
243.219829
SMILES
CCCCCCCCCCCCNCC(=O)O
InChI
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKey
LNPHVNNRZGCOBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.35
TPSA
49.33
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
2.7
Consensus LogP
3.15
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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