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CAS 15463-66-8 5-chloro-2-(1H-pyrazol-5-yl)aniline(SALTDATA: FREE) molecular structure lightbox
CAS RN: 15463-66-8

5-chloro-2-(1H-pyrazol-5-yl)aniline(SALTDATA: FREE)

  • Product code: SSC-063965
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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 15463-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

15463-66-8 / 5-chloro-2-(1H-pyrazol-5-yl)aniline

Standard CAS: 15463-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15463-66-8
Multi CAS
No
Molecular Formula
C9H8ClN3
Molecular Weight
193.630000
Exact Mass
193.040675
SMILES
C1=CC(=C(C=C1Cl)N)C2=CC=NN2
InChI
InChI=1S/C9H8ClN3/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,11H2,(H,12,13)
InChIKey
HVRSBOGXTCMCGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.45
TPSA
54.7

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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