CAS RN: 1175052-41-1
(2-NITROETHENYL)CYCLOPROPANE(WXC05267)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251019 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1175052-41-1
- Purity/Analytical Methods: >99.0%
1175052-41-1 / [(E)-2-nitroethenyl]cyclopropane
[(E)-2-nitroethenyl]cyclopropane | DTXSID101285551 | Cyclopropane, (2-nitroethenyl)-, (E)-
Basic Information
CAS
1175052-41-1
Multi CAS
Yes
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
SMILES
C1CC1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C5H7NO2/c7-6(8)4-3-5-1-2-5/h3-5H,1-2H2/b4-3+
InChIKey
IPCAGMYVDOFLFU-ONEGZZNKSA-N
Synonyms
[(E)-2-nitroethenyl]cyclopropane
DTXSID101285551
Cyclopropane, (2-nitroethenyl)-, (E)-
((E)-2-nitroethenyl)cyclopropane
RefChem:581129
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
28.86
TPSA
43.14
LogP / Solubility
WLOGP
1.19
MLOGP
1.03
XLogP3
1.5
Consensus LogP
1.24
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.57
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
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