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, 5g, 1g, 10g
- Available purity: tech. 90%
- 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 |
|---|---|---|---|---|
| 0.1g | tech. 90% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | tech. 90% | 5 In Stock | Shanghai | Inquiry |
| 5g | tech. 90% | 5 In Stock | Beijing | Inquiry |
| 1g | tech. 90% | 4 In Stock | Beijing | Inquiry |
| 10g | tech. 90% | 2 In Stock | Shanghai | Inquiry |
6829-41-0 / diethyl 2-hydroxyiminopropanedioate
Basic Information
CAS
6829-41-0
Multi CAS
No
Molecular Formula
C7H11NO5
Molecular Weight
189.170000
Exact Mass
189.063722
InChI
InChI=1S/C7H11NO5/c1-3-12-6(9)5(8-11)7(10)13-4-2/h11H,3-4H2,1-2H3
InChIKey
QOPCUMZEDYLUDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
42.49
TPSA
85.19
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.05
XLogP3
1.8
Consensus LogP
0.56
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
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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2,6-DI-ISO-PROPYLPYRIDINE
- CAS RN: 6832-21-9
- Product Code: starshine_CAS6832-21-9
- Purity/Analytical method: >99.0%
