CAS RN: 660830-63-7
7-Bromoisoquinoline-3-carboxylic acid
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.20260330 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS660830-63-7
- Purity/Analytical Methods: >99.0%
660830-63-7 / 7-bromoisoquinoline-3-carboxylic acid
Basic Information
CAS
660830-63-7
Multi CAS
No
Molecular Formula
BC10H6O2Rn
Molecular Weight
252.060000
Exact Mass
250.958190
InChI
InChI=1S/C10H6BrNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14)
InChIKey
OTFHFFYMJNOJCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.4
TPSA
50.19
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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