CAS RN: 69875-13-4
H-D-ALA-BETA-ALA-OH
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.20260513 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69875-13-4
- Purity/Analytical Methods: >99.0%
69875-13-4 / 3-(2-aminopropanoylamino)propanoic acid
Basic Information
CAS
69875-13-4
Multi CAS
Yes
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
InChI
InChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)
InChIKey
LHMWTJPMNYKPGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.91
TPSA
92.42
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.95
XLogP3
-3.8
Consensus LogP
-1.94
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
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)
-4.46
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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