CAS RN: 75235-38-0
(isobutylamino)(oxo)acetic acid
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.20250910 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS75235-38-0
- Purity/Analytical Methods: >99.0%
75235-38-0 / 2-(2-methylpropylamino)-2-oxoacetic acid
Basic Information
CAS
75235-38-0
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
InChI
InChI=1S/C6H11NO3/c1-4(2)3-7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
KTICXCJIBMTSRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.48
TPSA
66.4
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
0.8
Consensus LogP
0.17
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.72
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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