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CAS 92-14-8 4-Diethylamino-2-methylbenzaldehyde molecular structure lightbox
CAS RN: 92-14-8

4-Diethylamino-2-methylbenzaldehyde

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS92-14-8
  • Purity/Analytical Methods: >99.0%
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92-14-8 / 4-(diethylamino)-2-methylbenzaldehyde

Standard CAS: 92-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92-14-8
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12-7-6-11(9-14)10(3)8-12/h6-9H,4-5H2,1-3H3
InChIKey
KCZRCYBAYWJVGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
60.13
TPSA
20.31

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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