CAS RN: 3790-52-1
H-ASP(GLY-OH)-OH
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250319 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3790-52-1
- Purity/Analytical Methods: >99.0%
3790-52-1 / (2S)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid
Basic Information
CAS
3790-52-1
Multi CAS
Yes
Molecular Formula
C6H10N2O5
Molecular Weight
190.150000
Exact Mass
190.058971
InChI
InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey
ZTEDWFWBGPKUOD-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
40.87
TPSA
129.72
LogP / Solubility
WLOGP
-2.01
MLOGP
-1.77
XLogP3
-4.5
Consensus LogP
-2.76
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly 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)
-5.31
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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