CAS RN: 300842-64-2
N-(3-Bromo-4-methylphenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260403 | 5mg / 10mg / 25mg / 50mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS300842-64-2
- Purity/Analytical Methods: >99.0%
300842-64-2 / N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Basic Information
CAS
300842-64-2
Multi CAS
No
Molecular Formula
BC21H17Rn4
Molecular Weight
405.300000
Exact Mass
404.063660
InChI
InChI=1S/C21H17BrN4/c1-14-6-7-16(13-19(14)22)24-21-18-5-3-2-4-17(18)20(25-26-21)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKey
GXWKSXUPEFVUOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
108.74
TPSA
50.7
LogP / Solubility
WLOGP
5.43
MLOGP
4.8
XLogP3
4.9
Consensus LogP
5.04
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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