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: 1g, 0.1g, 0.25g, 10g, 25g, 5g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 1g | >98% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >98% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >98% | 1 In Stock | Beijing | Inquiry |
| 10g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 1 In Stock | Shanghai | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
629655-23-8 / 2-chloro-3-nitro-1H-pyridin-4-one
Basic Information
CAS
629655-23-8
Multi CAS
No
Molecular Formula
C5H3CLN2O3
Molecular Weight
174.540000
Exact Mass
173.983220
InChI
InChI=1S/C5H3ClN2O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H,7,9)
InChIKey
RGJVVCCIZKLJRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.73
TPSA
76
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.12
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
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