CAS RN: 60668-24-8
(S)-ALANYL-(R)-1-AMINOETHYLPHOSPHONIC 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.20260417 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS60668-24-8
- Purity/Analytical Methods: >99.0%
60668-24-8 / [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid
Basic Information
CAS
60668-24-8
Multi CAS
Yes
Molecular Formula
C5H13N2O4P
Molecular Weight
196.140000
Exact Mass
196.061294
InChI
InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1
InChIKey
BHAYDBSYOBONRV-IUYQGCFVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
43.3
TPSA
112.65
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.9
XLogP3
-4.5
Consensus LogP
-2.14
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-4.65
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
2.5
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