CAS RN: 1318777-56-8
N-DescarboxyMethyl-N-carboxyethyl LacosaMide (IMpurity)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 50mg / 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1318777-56-8
- Purity/Analytical Methods: >99.0%
1318777-56-8 / (2R)-N-benzyl-3-methoxy-2-(propanoylamino)propanamide
Basic Information
CAS
1318777-56-8
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
CCC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C14H20N2O3/c1-3-13(17)16-12(10-19-2)14(18)15-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKey
IUPMANYFQVBFSR-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.39
TPSA
67.43
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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