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CAS 6125-24-2 1-(PHENYL) 2-NITROETHANE molecular structure lightbox
CAS RN: 6125-24-2

1-(PHENYL) 2-NITROETHANE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250726 1g In stock Inquiry
Batchno.20250610 250mg Out of stock Inquiry
Batchno.20250209 50mg In stock Inquiry
Batchno.20251110 5g In stock Inquiry
  • Product code: SSC-170024
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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: 10g
  • 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 6125-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

6125-24-2 / 1-nitroethylbenzene

Standard CAS: 6125-24-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6125-24-2
Multi CAS
Yes
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
XAWCLWKTUKMCMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.85
TPSA
43.14

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.2

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
2

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