CAS RN: 24083-19-0
4-N-DODECYLOXYBENZALDEHYDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS24083-19-0
- Purity/Analytical Methods: >99.0%
24083-19-0 / 4-dodecoxybenzaldehyde
Basic Information
CAS
24083-19-0
Multi CAS
No
Molecular Formula
C19H30O2
Molecular Weight
290.400000
Exact Mass
290.224580
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-21-19-14-12-18(17-20)13-15-19/h12-15,17H,2-11,16H2,1H3
InChIKey
ZBEGLEYBWGNZJA-UHFFFAOYSA-N
Physical Properties
Physical Description
Light beige to beige powder; mp = 26-28 deg C
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
89.17
TPSA
26.3
LogP / Solubility
WLOGP
5.8
MLOGP
5.11
XLogP3
7.1
Consensus LogP
6
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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