CAS RN: 889953-85-9
4-CYCLOBUTYL-4-OXO-BUTYRIC ACID
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250323 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC926939
889953-85-9 / 4-cyclobutyl-4-oxobutanoic acid
Basic Information
CAS
889953-85-9
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c9-7(4-5-8(10)11)6-2-1-3-6/h6H,1-5H2,(H,10,11)
InChIKey
YFJPWCSWYQDNGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.22
TPSA
54.37
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
0.4
Consensus LogP
0.9
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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