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CAS 1191616-45-1 4-(4-bromophenyl)-1-methl-1H-pyrazole molecular structure lightbox
CAS RN: 1191616-45-1

4-(4-bromophenyl)-1-methl-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019635
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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 1191616-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1191616-45-1 / 4-(4-bromophenyl)-1-methylpyrazole

4-(4-bromophenyl)-1-methyl-1h-pyrazole | 4-(4-bromophenyl)-1-methylpyrazole | MFCD19322918

Standard CAS: 1191616-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1191616-45-1
Multi CAS
No
Molecular Formula
C10H9BrN2
Molecular Weight
237.100000
Exact Mass
235.994910
SMILES
CN1C=C(C=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-13-7-9(6-12-13)8-2-4-10(11)5-3-8/h2-7H,1H3
InChIKey
NGFPKROKTIBKMD-UHFFFAOYSA-N
Synonyms
4-(4-bromophenyl)-1-methyl-1h-pyrazole 4-(4-bromophenyl)-1-methylpyrazole MFCD19322918 4-(4-bromophenyl)-1-methyl-pyrazole 4-(4-bromophenyl)-1-methl-1H-pyrazole

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.34
TPSA
17.82

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.14

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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