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CAS 823-74-5 5-NITRO-2-METHYLFURAN molecular structure lightbox
CAS RN: 823-74-5

5-NITRO-2-METHYLFURAN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-190475
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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 823-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

823-74-5 / 2-methyl-5-nitrofuran

Standard CAS: 823-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
823-74-5
Multi CAS
No
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
InChI
InChI=1S/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
VOBFYAXUVBEUGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.1
TPSA
56.28

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.43

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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