CAS RN: 347146-29-6
4-bromo-7-nitroisoquinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS347146-29-6
- Purity/Analytical Methods: >99.0%
347146-29-6 / 4-bromo-7-nitroisoquinoline
Basic Information
CAS
347146-29-6
Multi CAS
No
Molecular Formula
BC9H5O2Rn2
Molecular Weight
253.050000
Exact Mass
251.953440
InChI
InChI=1S/C9H5BrN2O2/c10-9-5-11-4-6-3-7(12(13)14)1-2-8(6)9/h1-5H
InChIKey
IBCREMOZTIARBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.1
TPSA
56.03
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1-Methoxyisoquinolin-6-aMine
- CAS RN: 347146-47-8
- Product Code: starshine_CAS347146-47-8
- Purity/Analytical method: >99.0%
-
-
