CAS RN: 62558-67-2
4-(4′-hydroxy-phenylaMino)-4-oxo-butanoic 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.20260620 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS62558-67-2
- Purity/Analytical Methods: >99.0%
62558-67-2 / 4-(4-hydroxyanilino)-4-oxobutanoic acid
Basic Information
CAS
62558-67-2
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
InChIKey
GTGJPSXOXNMQKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.61
TPSA
86.63
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.2
Consensus LogP
0.82
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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