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CAS 1150271-24-1 4-Bromo-1-(cyclohexylmethyl)pyrazole molecular structure lightbox
CAS RN: 1150271-24-1

4-Bromo-1-(cyclohexylmethyl)pyrazole

  • Product code: SSC-014735
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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 1150271-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1150271-24-1 / 4-bromo-1-(cyclohexylmethyl)pyrazole

4-BROMO-1-(CYCLOHEXYLMETHYL)PYRAZOLE | RefChem:518908 | 801-015-2

Standard CAS: 1150271-24-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150271-24-1
Multi CAS
No
Molecular Formula
C10H15BrN2
Molecular Weight
243.140000
Exact Mass
242.041860
SMILES
C1CCC(CC1)CN2C=C(C=N2)Br
InChI
InChI=1S/C10H15BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKey
IESGDCLQIZINEU-UHFFFAOYSA-N
Synonyms
4-BROMO-1-(CYCLOHEXYLMETHYL)PYRAZOLE RefChem:518908 801-015-2 4-Bromo-1-(cyclohexylmethyl)-1H-pyrazole MFCD12026054

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.5
TPSA
17.82

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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