CAS RN: 1624260-21-4
2-AMino-3-(pyridin-4-yl)propanoic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260516 | 50mg / 250mg / 1g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1624260-21-4
- Purity/Analytical Methods: >99.0%
1624260-21-4 / 2-amino-3-pyridin-4-ylpropanoic acid;hydrochloride
Basic Information
CAS
1624260-21-4
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
C1=CN=CC=C1CC(C(=O)O)N.Cl
InChI
InChI=1S/C8H10N2O2.ClH/c9-7(8(11)12)5-6-1-3-10-4-2-6;/h1-4,7H,5,9H2,(H,11,12);1H
InChIKey
DIUTWKZSBAFEEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.8
TPSA
76.21
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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