CAS RN: 82104-74-3
5-Cyanophthalide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-190339
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: 5g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 1000g | >97% | 2 In Stock | Shenzhen | Inquiry |
82104-74-3 / 1-oxo-3H-2-benzofuran-5-carbonitrile
Basic Information
CAS
82104-74-3
Multi CAS
Yes
Molecular Formula
C9H5NO2
Molecular Weight
159.140000
Exact Mass
159.032028
InChI
InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2
InChIKey
XEEGWTLAFIZLSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
40.28
TPSA
50.09
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.5
Consensus LogP
0.94
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
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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2,3-Dihydrobenzofuran-5-sulfonyl Chloride
- CAS RN: 115010-11-2
- Product Code: ICTD3553
- Purity/Analytical method: >98.0%(GC)
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