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CAS 1260672-25-0 1-(4-nitrophenyl)cyclobutan-1-amine molecular structure lightbox
CAS RN: 1260672-25-0

1-(4-nitrophenyl)cyclobutan-1-amine

  • Product code: SSC-031886
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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: 1g
  • 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 1260672-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

1260672-25-0 / 1-(4-nitrophenyl)cyclobutan-1-amine

Standard CAS: 1260672-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260672-25-0
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
SMILES
C1CC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C10H12N2O2/c11-10(6-1-7-10)8-2-4-9(5-3-8)12(13)14/h2-5H,1,6-7,11H2
InChIKey
ZJRQRRUUGNADQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.81
TPSA
69.16

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.52

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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