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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
65193-87-5 / 2-cyanoethyl 3-oxobutanoate
Basic Information
CAS
65193-87-5
Multi CAS
Yes
Molecular Formula
C7H9NO3
Molecular Weight
155.150000
Exact Mass
155.058243
InChI
InChI=1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3
InChIKey
SWJVFAOGXDGTCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
36.49
TPSA
67.16
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
-0.4
Consensus LogP
0.13
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.37
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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Avermectin B1b
- CAS RN: 65195-56-4
- Product Code: starshine_CAS65195-56-4
- Purity/Analytical method: >99.0%
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