CAS RN: 23052-81-5
L-AP4
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.20260306 | 1mg | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS23052-81-5
- Purity/Analytical Methods: >99.0%
23052-81-5 / 2-amino-4-phosphonobutanoic acid
Basic Information
CAS
23052-81-5
Multi CAS
No
Molecular Formula
C4H10NO5P
Molecular Weight
183.100000
Exact Mass
183.029659
SMILES
C(CP(=O)(O)O)C(C(=O)O)N
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChIKey
DDOQBQRIEWHWBT-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
4
Molar refractivity
37.14
TPSA
120.85
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.91
XLogP3
-5.5
Consensus LogP
-2.48
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-4.57
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
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