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CAS 1402666-44-7 1-(pyrimidin-5-yl)cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 1402666-44-7

1-(pyrimidin-5-yl)cyclopropanecarboxylic acid

  • Product code: SSC-050812
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 1402666-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Beijing Inquiry

1402666-44-7 / 1-pyrimidin-5-ylcyclopropane-1-carboxylic acid

Standard CAS: 1402666-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402666-44-7
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
SMILES
C1CC1(C2=CN=CN=C2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-7(12)8(1-2-8)6-3-9-5-10-4-6/h3-5H,1-2H2,(H,11,12)
InChIKey
LAAIRUCKUORICZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.58
TPSA
63.08

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
Consensus LogP
0.37
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.3

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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