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CAS 175481-39-7 Desacetyl DesMethyl LacosaMide molecular structure lightbox
CAS RN: 175481-39-7

Desacetyl DesMethyl LacosaMide

  • Product code: SSC-077000
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 175481-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

175481-39-7 / (2R)-2-amino-N-benzyl-3-hydroxypropanamide

Standard CAS: 175481-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175481-39-7
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
C1=CC=C(C=C1)CNC(=O)[C@@H](CO)N
InChI
InChI=1S/C10H14N2O2/c11-9(7-13)10(14)12-6-8-4-2-1-3-5-8/h1-5,9,13H,6-7,11H2,(H,12,14)/t9-/m1/s1
InChIKey
WYCNJBXJCACFCM-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.35
TPSA
75.35

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.33
XLogP3
-0.5
Consensus LogP
-0.4
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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