CAS RN: 4910-43-4
(2S)-2-acetamido-4-methoxy-4-oxobutanoic 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.20251122 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4910-43-4
- Purity/Analytical Methods: >99.0%
4910-43-4 / (2S)-2-acetamido-4-methoxy-4-oxobutanoic acid
Basic Information
CAS
4910-43-4
Multi CAS
Yes
Molecular Formula
C7H11NO5
Molecular Weight
189.170000
Exact Mass
189.063722
InChI
InChI=1S/C7H11NO5/c1-4(9)8-5(7(11)12)3-6(10)13-2/h5H,3H2,1-2H3,(H,8,9)(H,11,12)/t5-/m0/s1
InChIKey
ZDPZXMGPKKVZGD-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.87
TPSA
92.7
LogP / Solubility
WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.8
Consensus LogP
-0.81
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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