CAS RN: 66761-27-1
4-Azidosalicylic Acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 25mg | In stock | Shanghai | Inquiry |
- Product code: ICTA2290
- Purity/Analytical Methods: >98.0%(T)(HPLC)
66761-27-1 / 4-azido-2-hydroxybenzoic acid
Basic Information
CAS
66761-27-1
Multi CAS
Yes
Molecular Formula
C7H5N3O3
Molecular Weight
179.130000
Exact Mass
179.033091
InChI
InChI=1S/C7H5N3O3/c8-10-9-4-1-2-5(7(12)13)6(11)3-4/h1-3,11H,(H,12,13)
InChIKey
NLPWSMKACWGINL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.87
TPSA
106.29
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.9
Consensus LogP
2.24
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-2.37
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
