CAS RN: 251635-21-9
4-CYCLOPROPYL-3-OXO-BUTYRIC ACID METHYL 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.20260417 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS251635-21-9
- Purity/Analytical Methods: >99.0%
251635-21-9 / methyl 4-cyclopropyl-3-oxobutanoate
Basic Information
CAS
251635-21-9
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
SMILES
COC(=O)CC(=O)CC1CC1
InChI
InChI=1S/C8H12O3/c1-11-8(10)5-7(9)4-6-2-3-6/h6H,2-5H2,1H3
InChIKey
KBYSOJRQVKSQPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
38.98
TPSA
43.37
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.02
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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