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CAS 1134915-37-9 2-AMino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride molecular structure lightbox
CAS RN: 1134915-37-9

2-AMino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride

  • Product code: SSC-013602
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1134915-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1134915-37-9 / 2-amino-2-(6-phenyl-3-pyridinyl)acetic acid;hydrochloride

2-AMINO-2-(6-PHENYLPYRIDIN-3-YL)ACETIC ACID HYDROCHLORIDE | 2-Amino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride | MFCD07371470

Standard CAS: 1134915-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134915-37-9
Multi CAS
No
Molecular Formula
C13H13ClN2O2
Molecular Weight
264.710000
Exact Mass
264.066555
SMILES
C1=CC=C(C=C1)C2=NC=C(C=C2)C(C(=O)O)N.Cl
InChI
InChI=1S/C13H12N2O2.ClH/c14-12(13(16)17)10-6-7-11(15-8-10)9-4-2-1-3-5-9;/h1-8,12H,14H2,(H,16,17);1H
InChIKey
MAUCIEQKALORTR-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(6-PHENYLPYRIDIN-3-YL)ACETIC ACID HYDROCHLORIDE 2-Amino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride MFCD07371470 2-amino-2-(6-phenylpyridin-3-yl)acetic acid;hydrochloride AC2982

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.49
TPSA
76.21

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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