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CAS 2625-41-4 nitro cyclobutane molecular structure lightbox
CAS RN: 2625-41-4

nitro cyclobutane

  • Product code: SSC-123549
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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, 5g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 2625-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

2625-41-4 / nitrocyclobutane

Standard CAS: 2625-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2625-41-4
Multi CAS
No
Molecular Formula
C4H7NO2
Molecular Weight
101.100000
Exact Mass
101.047678
SMILES
C1CC(C1)[N+](=O)[O-]
InChI
InChI=1S/C4H7NO2/c6-5(7)4-2-1-3-4/h4H,1-3H2
InChIKey
IPVBXZMWDWJWHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
24.63
TPSA
43.14

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-2.76

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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