CAS RN: 196959-49-6
Acetic acid, (acetylamino)hydroxy-, ethyl ester (9CI)
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.20260216 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-092930
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
196959-49-6 / ethyl 2-acetamido-2-hydroxyacetate
Basic Information
CAS
196959-49-6
Multi CAS
No
Molecular Formula
C6H11NO4
Molecular Weight
161.160000
Exact Mass
161.068808
SMILES
CCOC(=O)C(NC(=O)C)O
InChI
InChI=1S/C6H11NO4/c1-3-11-6(10)5(9)7-4(2)8/h5,9H,3H2,1-2H3,(H,7,8)
InChIKey
JASGMORZQKFZPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.46
TPSA
75.63
LogP / Solubility
WLOGP
-1
MLOGP
-0.88
XLogP3
-0.7
Consensus LogP
-0.86
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.41
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
2
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