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CAS 54120-91-1 BENZOXAZOLE, 2-CHLORO-5-NITRO- molecular structure lightbox
CAS RN: 54120-91-1

BENZOXAZOLE, 2-CHLORO-5-NITRO-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-161684
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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: 0.1g, 0.25g, 1g, 5g
  • 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 54120-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

54120-91-1 / 2-chloro-5-nitro-1,3-benzoxazole

Standard CAS: 54120-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54120-91-1
Multi CAS
No
Molecular Formula
C7H3CLN2O3
Molecular Weight
198.560000
Exact Mass
197.983220
InChI
InChI=1S/C7H3ClN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H
InChIKey
JDESVZPWUYUPRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.67
TPSA
69.17

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
3
Consensus LogP
2.5
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

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

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