![CAS 552850-73-4 Acetic acid, [(5-chloro-2-pyridinyl)aMino]oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552850-73-4.gif)
CAS RN: 552850-73-4
Acetic acid, [(5-chloro-2-pyridinyl)aMino]oxo-
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.20250624 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-163137
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
552850-73-4 / 1-(6-chloro-5-nitro-3-pyridinyl)ethanone
Basic Information
CAS
552850-73-4
Multi CAS
Yes
Molecular Formula
C7H5CLN2O3
Molecular Weight
200.580000
Exact Mass
199.998870
InChI
InChI=1S/C7H5ClN2O3/c8-4-1-2-5(9-3-4)10-6(11)7(12)13/h1-3H,(H,12,13)(H,9,10,11)
InChIKey
UQMUSEDZBHNTTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.91
TPSA
73.1
LogP / Solubility
WLOGP
1.85
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 553643-52-0 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1′-biphenyl]-4-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/553643-52-0.gif)