![CAS 1136884-55-3 2-AMino-2-[4-(3-pyridyloxy)phenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1136884-55-3.gif)
CAS RN: 1136884-55-3
2-AMino-2-[4-(3-pyridyloxy)phenyl]acetic Acid
- Product code: SSC-013705
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: 1g, 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.
1136884-55-3 / 2-amino-2-(4-pyridin-3-yloxyphenyl)acetic acid
2-Amino-2-[4-(3-pyridyloxy)phenyl]acetic acid | 2-Amino-2-(4-(pyridin-3-yloxy)phenyl)acetic acid | MFCD06410001
Basic Information
CAS
1136884-55-3
Multi CAS
Yes
Molecular Formula
C13H12N2O3
Molecular Weight
244.250000
Exact Mass
244.084792
SMILES
C1=CC(=CN=C1)OC2=CC=C(C=C2)C(C(=O)O)N
InChI
InChI=1S/C13H12N2O3/c14-12(13(16)17)9-3-5-10(6-4-9)18-11-2-1-7-15-8-11/h1-8,12H,14H2,(H,16,17)
InChIKey
RLUHYCPFPHDMHY-UHFFFAOYSA-N
Synonyms
2-Amino-2-[4-(3-pyridyloxy)phenyl]acetic acid
2-Amino-2-(4-(pyridin-3-yloxy)phenyl)acetic acid
MFCD06410001
2-amino-2-(4-pyridin-3-yloxyphenyl)acetic acid
AC2985
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.32
TPSA
85.44
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
-1.2
Consensus LogP
0.83
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
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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![CAS 1137026-67-5 Benzoic acid, 5-[[[(2S)-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1137026-67-5.gif)
