CAS RN: 50768-75-7
4-(5-BROMO-2-PYRIDYLAZO)-M-PHENYLENE-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260507 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50768-75-7
- Purity/Analytical Methods: >99.0%
50768-75-7 / 4-[(5-bromo-2-pyridinyl)diazenyl]benzene-1,3-diamine
Basic Information
CAS
50768-75-7
Multi CAS
Yes
Molecular Formula
BC11H10Rn5
Molecular Weight
292.130000
Exact Mass
291.011960
InChI
InChI=1S/C11H10BrN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
InChIKey
XHJGETUGTPYUKU-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
71.38
TPSA
89.65
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
2.4
Consensus LogP
2.95
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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
Yes
Synthetic Accessibility
1.5
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