CAS RN: 1198-30-7
1-Isoquinolinecarbonitrile
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250623 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260412 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250522 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260107 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-020541
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
1198-30-7 / isoquinoline-1-carbonitrile
1-Isoquinolinecarbonitrile | RefChem:433383 | 627-280-2
Basic Information
CAS
1198-30-7
Multi CAS
No
Molecular Formula
C10H6N2
Molecular Weight
154.170000
Exact Mass
154.053098
SMILES
C1=CC=C2C(=C1)C=CN=C2C#N
InChI
InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
InChIKey
HJHXYSBRTVFEDD-UHFFFAOYSA-N
Synonyms
1-Isoquinolinecarbonitrile
RefChem:433383
627-280-2
isoquinoline-1-carbonitrile
1-Cyanoisoquinoline
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
46.46
TPSA
36.68
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (91.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
