![CAS 1336938-53-4 2-Amino-2-[3-(2-pyridyl)phenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1336938-53-4.gif)
CAS RN: 1336938-53-4
2-Amino-2-[3-(2-pyridyl)phenyl]acetic Acid
- Product code: SSC-040602
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1336938-53-4 / 2-amino-2-(3-pyridin-2-ylphenyl)acetic acid
Basic Information
CAS
1336938-53-4
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
SMILES
C1=CC=NC(=C1)C2=CC(=CC=C2)C(C(=O)O)N
InChI
InChI=1S/C13H12N2O2/c14-12(13(16)17)10-5-3-4-9(8-10)11-6-1-2-7-15-11/h1-8,12H,14H2,(H,16,17)
InChIKey
WWSHFTBYKATSJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.24
TPSA
76.21
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
-1
Consensus LogP
0.82
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
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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