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CAS 52558-74-4 N-Lauroyl-L-alanine molecular structure lightbox
CAS RN: 52558-74-4

N-Lauroyl-L-alanine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 100g In stock Shanghai, Shandong Inquiry
Batchno.20260428 25g In stock Shanghai Inquiry
Batchno.20260506 500g Out of stock 30 business days Inquiry
Batchno.20250722 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTL0349
  • Purity/Analytical Methods: >97.0%(GC)(T)
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52558-74-4 / 2-(dodecanoylamino)propanoic acid

Standard CAS: 52558-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52558-74-4
Multi CAS
Yes
Molecular Formula
C15H29NO3
Molecular Weight
271.400000
Exact Mass
271.214744
InChI
InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13(2)15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
UYTOHYBIBPDOKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
77.08
TPSA
66.4

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
4.7
Consensus LogP
3.76
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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
2

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