CAS RN: 23052-80-4
L-AP3
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23052-80-4
- Purity/Analytical Methods: >99.0%
23052-80-4 / 2-amino-3-phosphonopropanoic acid
Basic Information
CAS
23052-80-4
Multi CAS
No
Molecular Formula
C3H8NO5P
Molecular Weight
169.070000
Exact Mass
169.014009
SMILES
C(C(C(=O)O)N)P(=O)(O)O
InChI
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
LBTABPSJONFLPO-REOHCLBHSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
32.52
TPSA
120.85
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.26
XLogP3
-5.2
Consensus LogP
-2.63
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.06
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)
-4.76
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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