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CAS 699-18-3 1-(2-FURYL)-2-NITROETHYLENE molecular structure lightbox
CAS RN: 699-18-3

1-(2-FURYL)-2-NITROETHYLENE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 5g / 25g / 250g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-179668
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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: 25g
  • 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 699-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

699-18-3 / 2-(2-nitroethenyl)furan

Standard CAS: 699-18-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
699-18-3
Multi CAS
Yes
Molecular Formula
C6H5NO3
Molecular Weight
139.110000
Exact Mass
139.026943
InChI
InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H
InChIKey
WVUICGOYGDHVBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.74
TPSA
56.28

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.48

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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