CAS RN: 10138-10-0
4-Oxobutanoic acid ethyl ester
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.20260609 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10138-10-0
- Purity/Analytical Methods: >99.0%
10138-10-0 / ethyl 4-oxobutanoate
ethyl 4-oxobutanoate | Butanoic acid, 4-oxo-, ethyl ester | ethyl 4-oxobutyrate
Basic Information
CAS
10138-10-0
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CCOC(=O)CCC=O
InChI
InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3
InChIKey
QFMPHCGACBODIJ-UHFFFAOYSA-N
Synonyms
ethyl 4-oxobutanoate
Butanoic acid, 4-oxo-, ethyl ester
ethyl 4-oxobutyrate
ethyl 3-formylpropionate
Succinaldehydic acid, ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
31.93
TPSA
43.37
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
-0.1
Consensus LogP
0.3
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.14
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 5-NORBORNENE-2-CARBOXYLATE (MIXTURE OF ENDO AND EXO)
- CAS RN: 10138-32-6
- Product Code: starshine_CAS10138-32-6
- Purity/Analytical method: >99.0%
-
Erbium(III) chloride
- CAS RN: 10138-41-7
- Product Code: starshine_CAS10138-41-7
- Purity/Analytical method: >99.0%
-
Gadolinium(III) chloride
- CAS RN: 10138-52-0
- Product Code: starshine_CAS10138-52-0
- Purity/Analytical method: >99.0%
-
D-Proline, 1-amino- (9CI)
- CAS RN: 10139-05-6
- Product Code: starshine_CAS10139-05-6
- Purity/Analytical method: >99.0%
-
-
