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CAS 4419-92-5 DIETHYLAMINE SALICYLATE molecular structure lightbox
CAS RN: 4419-92-5

DIETHYLAMINE SALICYLATE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250317 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250731 25g Out of stock Inquiry
Batchno.20251015 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS4419-92-5
  • Purity/Analytical Methods: >99.0%
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4419-92-5 / N-ethylethanamine;2-hydroxybenzoic acid

Standard CAS: 4419-92-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4419-92-5
Multi CAS
Yes
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
InChI
InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
InChIKey
JGMKRAUEFASZKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.28
TPSA
69.56

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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