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CAS 855343-07-6 4-iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole(SALTDATA: FREE) molecular structure lightbox
CAS RN: 855343-07-6

4-iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole(SALTDATA: FREE)

  • Product code: SSC-193968
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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: 5g
  • 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 855343-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

855343-07-6 / 4-iodo-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Standard CAS: 855343-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855343-07-6
Multi CAS
No
Molecular Formula
C5F3H4In2
Molecular Weight
276.000000
Exact Mass
275.937130
InChI
InChI=1S/C5H4F3IN2/c1-2-3(9)4(11-10-2)5(6,7)8/h1H3,(H,10,11)
InChIKey
IRTAKXXVODBLQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.04
TPSA
28.68

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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