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, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
13602-82-9 / N-(2-chloro-4-pyridinyl)acetamide
Basic Information
CAS
13602-82-9
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
CC(=O)NC1=CC(=NC=C1)Cl
InChI
InChI=1S/C7H7ClN2O/c1-5(11)10-6-2-3-9-7(8)4-6/h2-4H,1H3,(H,9,10,11)
InChIKey
DFUPWNHYRNYOHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.55
TPSA
41.99
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1
Consensus LogP
1.39
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
