CAS RN: 712321-46-5
(R)-3-AMINO-3-(6-METHOXY-3-PYRIDYL)-PROPIONIC 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.20251116 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS712321-46-5
- Purity/Analytical Methods: >99.0%
712321-46-5 / (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
Basic Information
CAS
712321-46-5
Multi CAS
Yes
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
InChI
InChI=1S/C9H12N2O3/c1-14-8-3-2-6(5-11-8)7(10)4-9(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKey
JWSDJSZHYFNBEN-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.97
TPSA
85.44
LogP / Solubility
WLOGP
0.56
MLOGP
0.5
XLogP3
-2.7
Consensus LogP
-0.55
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.52
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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