CAS RN: 1231761-54-8
4-Chloroquinazoline-8-carbonitrile
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.20250721 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-026801
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- 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.
1231761-54-8 / 4-chloroquinazoline-8-carbonitrile
Basic Information
CAS
1231761-54-8
Multi CAS
No
Molecular Formula
C9H4ClN3
Molecular Weight
189.600000
Exact Mass
189.009375
SMILES
C1=CC(=C2C(=C1)C(=NC=N2)Cl)C#N
InChI
InChI=1S/C9H4ClN3/c10-9-7-3-1-2-6(4-11)8(7)12-5-13-9/h1-3,5H
InChIKey
BWXPTILLWVZEMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
49.26
TPSA
49.57
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.08
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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