CAS RN: 4743-99-1
4-(Hydroxyamino)-4-oxobutanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS4743-99-1
- Purity/Analytical Methods: >99.0%
4743-99-1 / 4-(hydroxyamino)-4-oxobutanoic acid
Basic Information
CAS
4743-99-1
Multi CAS
Yes
Molecular Formula
C4H7NO4
Molecular Weight
133.100000
Exact Mass
133.037508
InChI
InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
InChIKey
AGEUQNZXCIVHPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
26.8
TPSA
86.63
LogP / Solubility
WLOGP
-0.64
MLOGP
-0.57
XLogP3
-1.5
Consensus LogP
-0.9
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.99
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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