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CAS 1196145-38-6 (5-Fluoro-pyrimidin-2-yl)-acetic acid molecular structure lightbox
CAS RN: 1196145-38-6

(5-Fluoro-pyrimidin-2-yl)-acetic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 25mg / 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1196145-38-6
  • Purity/Analytical Methods: >99.0%
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1196145-38-6 / 2-(5-fluoropyrimidin-2-yl)acetic acid

(5-Fluoropyrimidin-2-yl)acetic acid | 2-(5-fluoropyrimidin-2-yl)acetic acid | 5-Fluoro-2-pyrimidineacetic acid

Standard CAS: 1196145-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196145-38-6
Multi CAS
No
Molecular Formula
C6H5FN2O2
Molecular Weight
156.110000
Exact Mass
156.033506
SMILES
C1=C(C=NC(=N1)CC(=O)O)F
InChI
InChI=1S/C6H5FN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKey
RPPKSSZAMKKYFT-UHFFFAOYSA-N
Synonyms
(5-Fluoropyrimidin-2-yl)acetic acid 2-(5-fluoropyrimidin-2-yl)acetic acid 5-Fluoro-2-pyrimidineacetic acid MFCD13189601 2-Pyrimidineacetic acid, 5-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.33
TPSA
63.08

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.08
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

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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