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CAS 1235407-34-7 4-bromo-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1235407-34-7

4-bromo-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250718 100mg In stock Shanghai Inquiry
Batchno.20250427 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250903 1g Out of stock Inquiry
Batchno.20251213 250mg Out of stock Inquiry
Batchno.20250826 5g Out of stock Inquiry
  • Product code: SSC-027264
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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 1235407-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1235407-34-7 / 4-bromo-5-nitro-1-(oxan-2-yl)pyrazole

Standard CAS: 1235407-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235407-34-7
Multi CAS
No
Molecular Formula
C8H10BrN3O3
Molecular Weight
276.090000
Exact Mass
274.990550
SMILES
C1CCOC(C1)N2C(=C(C=N2)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H10BrN3O3/c9-6-5-10-11(8(6)12(13)14)7-3-1-2-4-15-7/h5,7H,1-4H2
InChIKey
COVBZTWKVYCQBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
55.42
TPSA
70.19

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.8

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
2

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