CAS RN: 1581764-48-8
4-Isoquinolinecarboxaldehyde, 7-bromo-3-chloro-
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.20251102 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1581764-48-8
- Purity/Analytical Methods: >99.0%
1581764-48-8 / 7-bromo-3-chloroisoquinoline-4-carbaldehyde
Basic Information
CAS
1581764-48-8
Multi CAS
No
Molecular Formula
C10H5BrClNO
Molecular Weight
270.510000
Exact Mass
268.924300
SMILES
C1=CC2=C(C(=NC=C2C=C1Br)Cl)C=O
InChI
InChI=1S/C10H5BrClNO/c11-7-1-2-8-6(3-7)4-13-10(12)9(8)5-14/h1-5H
InChIKey
JNSFGCBOZFJYHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.84
TPSA
29.96
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.91
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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