![CAS 33006-91-6 4-(5-Chloro-2-pyridylazo)-1,3-phenylenediamine [for Colorimetric Analysis of Co, Cd] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c0932-jpgcontextbwfzdgvyfhjvb3r8mjgzmtr8aw1hz2uvanblz3xommivadrjlzg5mjkzndk2njq3otgvqza5mziuanbnfgzjmzrmnde4mdq1mzrintq4mtk4ytu0yzg1otgyyzmxnmzmywmzy2zjnzuynge4odgwogizzguwnmjhytblnmy.jpeg)
CAS RN: 33006-91-6
4-(5-Chloro-2-pyridylazo)-1,3-phenylenediamine [for Colorimetric Analysis of Co, Cd]
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: ICTC0932
- Purity/Analytical Methods: >99.0%(T)
33006-91-6 / 4-[(5-chloro-2-pyridinyl)diazenyl]benzene-1,3-diamine
Basic Information
CAS
33006-91-6
Multi CAS
Yes
Molecular Formula
C11H10CLN5
Molecular Weight
247.680000
Exact Mass
247.062473
InChI
InChI=1S/C11H10ClN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
InChIKey
WLNTVTDTBKPTCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.69
TPSA
89.65
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
2.3
Consensus LogP
2.84
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-1.88
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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