CAS RN: 488713-31-1
2-PYRIDINECARBONITRILE, 5-AMINO-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.20251010 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-155437
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: 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.
488713-31-1 / 5-amino-3-chloropyridine-2-carbonitrile
Basic Information
CAS
488713-31-1
Multi CAS
Yes
Molecular Formula
C6H4CLN3
Molecular Weight
153.570000
Exact Mass
153.009375
InChI
InChI=1S/C6H4ClN3/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,9H2
InChIKey
GDIBYDQLRIRVCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.37
TPSA
62.7
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.81
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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