CAS RN: 223387-75-5
FG 2216
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 100mg | Out of stock | Inquiry | |
| Batchno.20250829 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250518 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250209 | 250mg | Out of stock | Inquiry | |
| Batchno.20260620 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260117 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250626 | 50mg | Out of stock | Inquiry | |
| Batchno.20250226 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20251121 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS223387-75-5
- Purity/Analytical Methods: >99.0%
223387-75-5 / 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
Basic Information
CAS
223387-75-5
Multi CAS
No
Molecular Formula
C12H9ClN2O4
Molecular Weight
280.660000
Exact Mass
280.025085
SMILES
C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O
InChI
InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
InChIKey
OUQVKRKGTAUJQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.39
TPSA
99.52
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
2.5
Consensus LogP
1.72
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
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
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