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CAS 23542-51-0 5-NITRO-1-PENTENE molecular structure lightbox
CAS RN: 23542-51-0

5-NITRO-1-PENTENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 250mg In stock Shanghai Inquiry
  • Product code: SSC-114357
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23542-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

23542-51-0 / 5-nitropent-1-ene

Standard CAS: 23542-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23542-51-0
Multi CAS
No
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
C=CCCC[N+](=O)[O-]
InChI
InChI=1S/C5H9NO2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2
InChIKey
NPFOLTHIKZSVPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
31.29
TPSA
43.14

LogP / Solubility

WLOGP
1.23
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.27
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.55

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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