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CAS 1135818-89-1 2-AMino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride molecular structure lightbox
CAS RN: 1135818-89-1

2-AMino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride

  • Product code: SSC-013671
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1135818-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1135818-89-1 / 2-amino-2-(4-pyridin-2-ylphenyl)acetic acid;hydrochloride

2-AMINO-2-(4-(PYRIDIN-2-YL)PHENYL)ACETIC ACID HYDROCHLORIDE | 2-Amino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride | MFCD07371460

Standard CAS: 1135818-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135818-89-1
Multi CAS
No
Molecular Formula
C13H13ClN2O2
Molecular Weight
264.710000
Exact Mass
264.066555
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)C(C(=O)O)N.Cl
InChI
InChI=1S/C13H12N2O2.ClH/c14-12(13(16)17)10-6-4-9(5-7-10)11-3-1-2-8-15-11;/h1-8,12H,14H2,(H,16,17);1H
InChIKey
GKXPBGOAJCCGJQ-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(4-(PYRIDIN-2-YL)PHENYL)ACETIC ACID HYDROCHLORIDE 2-Amino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride MFCD07371460 2-amino-2-(4-pyridin-2-ylphenyl)acetic acid;hydrochloride 2-amino-2-[4-(pyridin-2-yl)phenyl]acetic acid hydrochloride

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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