CAS RN: 24173-36-2
p-azidobenzaldehyde
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS24173-36-2
- Purity/Analytical Methods: >99.0%
24173-36-2 / 4-azidobenzaldehyde
Basic Information
CAS
24173-36-2
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
SMILES
C1=CC(=CC=C1C=O)N=[N+]=[N-]
InChI
InChI=1S/C7H5N3O/c8-10-9-7-3-1-6(5-11)2-4-7/h1-5H
InChIKey
SDJOUGYEUFYPLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.64
TPSA
65.83
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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