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CAS 19525-59-8 N-Phenylglycine Potassium Salt molecular structure lightbox
CAS RN: 19525-59-8

N-Phenylglycine Potassium Salt

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTP0179
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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19525-59-8 / potassium 2-anilinoacetate

Standard CAS: 19525-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19525-59-8
Multi CAS
No
Molecular Formula
C8H8KNO2
Molecular Weight
189.250000
Exact Mass
189.019210
SMILES
C1=CC=C(C=C1)NCC(=O)[O-].[K+]
InChI
InChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1
InChIKey
JINONCVJYBHUCP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.94
TPSA
52.16

LogP / Solubility

WLOGP
-3.15
MLOGP
-2.77
XLogP3
-3.15
Consensus LogP
-3.02
Log S (ESOL)
0.8
Class (ESOL)
Highly soluble
Log S (Ali)
1.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.36
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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