CAS RN: 270065-68-4
(S)-3-AMINO-4-(4-PYRIDYL)-BUTYRIC ACID-2HCL
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.20250403 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS270065-68-4
- Purity/Analytical Methods: >99.0%
270065-68-4 / (3S)-3-amino-4-pyridin-4-ylbutanoic acid
Basic Information
CAS
270065-68-4
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
C1=CN=CC=C1C[C@@H](CC(=O)O)N
InChI
InChI=1S/C9H12N2O2/c10-8(6-9(12)13)5-7-1-3-11-4-2-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1
InChIKey
HPMMXBBRJNNDBV-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.17
TPSA
76.21
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
-2.5
Consensus LogP
-0.57
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
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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