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CAS 926258-13-1 N-[(1,3-DIPHENYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLAMINE molecular structure lightbox
CAS RN: 926258-13-1

N-[(1,3-DIPHENYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLAMINE

  • Product code: SSC-206423
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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 926258-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

926258-13-1 / 1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine

Standard CAS: 926258-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926258-13-1
Multi CAS
No
Molecular Formula
C17H17N3
Molecular Weight
263.340000
Exact Mass
263.142248
InChI
InChI=1S/C17H17N3/c1-18-12-15-13-20(16-10-6-3-7-11-16)19-17(15)14-8-4-2-5-9-14/h2-11,13,18H,12H2,1H3
InChIKey
BSUZFJZIHMPIFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.76
TPSA
29.85

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
2.9
Consensus LogP
3.01
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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