![CAS 85-85-8 PAN [=1-(2-Pyridylazo)-2-naphthol] [Metal indicator and spectrophotometric reagent for transition metals] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5000-jpgcontextbwfzdgvyfhjvb3r8mzqwmth8aw1hz2uvanblz3xomtyvagvklzg5mjg1mtezotm4mjivqtuwmdauanbnfdhhywm4mde2otuwowqwy2y2ntu2otvimde1zdyyntmyzgi4zwrhyza2ymrjnde2n2qyndflzgzjotc5mtc0y2i.jpeg)
CAS RN: 85-85-8
PAN [=1-(2-Pyridylazo)-2-naphthol] [Metal indicator and spectrophotometric reagent for transition metals]
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTA5000
- Purity/Analytical Methods: >98.0%(T)(HPLC)
85-85-8 / 1-(pyridin-2-yldiazenyl)naphthalen-2-ol
Basic Information
CAS
85-85-8
Multi CAS
Yes
Molecular Formula
C15H11N3O
Molecular Weight
249.270000
Exact Mass
249.090212
InChI
InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
InChIKey
LLYOXZQVOKALCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.03
TPSA
57.84
LogP / Solubility
WLOGP
4.36
MLOGP
3.84
XLogP3
3.9
Consensus LogP
4.03
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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