CAS RN: 1427420-85-6
7-Chlorobenzofuran-5-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.20260105 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-053838
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
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
1427420-85-6 / 7-chloro-1-benzofuran-5-carbonitrile
Basic Information
CAS
1427420-85-6
Multi CAS
No
Molecular Formula
C9H4ClNO
Molecular Weight
177.590000
Exact Mass
176.998141
SMILES
C1=COC2=C(C=C(C=C21)C#N)Cl
InChI
InChI=1S/C9H4ClNO/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h1-4H
InChIKey
PHWNDIUVRJWQNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
45.94
TPSA
36.93
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
2.7
Consensus LogP
2.75
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.7
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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