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CAS 1626355-71-2 Benzenamine, 2-methyl-4-[(1-methylcyclopropyl)oxy]- molecular structure lightbox
CAS RN: 1626355-71-2

Benzenamine, 2-methyl-4-[(1-methylcyclopropyl)oxy]-

  • Product code: SSC-070052
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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: 1g
  • 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 1626355-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1626355-71-2 / 2-methyl-4-(1-methylcyclopropyl)oxyaniline

Standard CAS: 1626355-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1626355-71-2
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC1=C(C=CC(=C1)OC2(CC2)C)N
InChI
InChI=1S/C11H15NO/c1-8-7-9(3-4-10(8)12)13-11(2)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKey
HVDFREZMUBBHKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.86
TPSA
35.25

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
2
Consensus LogP
2.24
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.02

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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