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CAS 1612174-02-3 2-[1-(Cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-amine molecular structure lightbox
CAS RN: 1612174-02-3

2-[1-(Cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-amine

  • Product code: SSC-068915
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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: 1g
  • 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 1612174-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1612174-02-3 / 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine

Standard CAS: 1612174-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1612174-02-3
Multi CAS
No
Molecular Formula
C10H11N5O2S
Molecular Weight
265.290000
Exact Mass
265.063346
SMILES
C1CC1S(=O)(=O)N2C=C(C=N2)C3=NC=CC(=N3)N
InChI
InChI=1S/C10H11N5O2S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)18(16,17)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKey
LGZCTXYBYNYHEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
65.01
TPSA
103.76

LogP / Solubility

WLOGP
0.26
MLOGP
0.24
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.15

Drug-likeness / Medicinal Chemistry

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

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