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CAS 895929-56-3 1-(3,4-dichlorobenzyl)-1H-pyrazol-3-amine molecular structure lightbox
CAS RN: 895929-56-3

1-(3,4-dichlorobenzyl)-1H-pyrazol-3-amine

  • Product code: SSC-201608
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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: ＞97%
  • 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 895929-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

895929-56-3 / 1-[(3,4-dichlorophenyl)methyl]pyrazol-3-amine

Standard CAS: 895929-56-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
895929-56-3
Multi CAS
No
Molecular Formula
C10H9CL2N3
Molecular Weight
242.100000
Exact Mass
241.017353
InChI
InChI=1S/C10H9Cl2N3/c11-8-2-1-7(5-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKey
HDCJOTJJYUOQLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.2
TPSA
43.84

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

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

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