CAS RN: 5408-04-8
ETHYL 2-(HYDROXYIMINO)-3-OXOBUTANOATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-161616
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 |
5408-04-8 / ethyl 3-hydroxy-2-nitrosobut-2-enoate
Basic Information
CAS
5408-04-8
Multi CAS
Yes
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h8H,3H2,1-2H3
InChIKey
HVTHITHXCDMTDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
37.76
TPSA
75.96
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.91
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
Customers Also Viewed
-
ETHYL 4-BROMO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE
- CAS RN: 5408-07-1
- Product Code: SSC-161617
-
ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate
- CAS RN: 5408-08-2
- Product Code: SSC-161618
-
3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER
- CAS RN: 5408/10/6
- Product Code: SSC-161619
-
[ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone)
- CAS RN: 5410-01-5
- Product Code: starshine_CAS5410-01-5
- Purity/Analytical method: >99.0%
-
-
![CAS 5410-01-5 [ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5410-01-5.gif)
