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CAS 2295925-90-3 Lacosamide impurity I molecular structure lightbox
CAS RN: 2295925-90-3

Lacosamide impurity I

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2295925-90-3
  • Purity/Analytical Methods: >99.0%
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2295925-90-3 / (2R)-N-benzyl-2-(benzylcarbamoylamino)-3-methoxypropanamide

Standard CAS: 2295925-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2295925-90-3
Multi CAS
No
Molecular Formula
C19H23N3O3
Molecular Weight
341.400000
Exact Mass
341.173942
SMILES
COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O3/c1-25-14-17(18(23)20-12-15-8-4-2-5-9-15)22-19(24)21-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,23)(H2,21,22,24)/t17-/m1/s1
InChIKey
ZQCXWSUNHXERLO-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.77
TPSA
79.46

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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