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CAS 89521-54-0 Benzenamine, 2-nitro-6-(phenylmethoxy)- molecular structure lightbox
CAS RN: 89521-54-0

Benzenamine, 2-nitro-6-(phenylmethoxy)-

  • Product code: SSC-201519
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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 89521-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

89521-54-0 / 2-nitro-6-phenylmethoxyaniline

Standard CAS: 89521-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89521-54-0
Multi CAS
No
Molecular Formula
C13H12N2O3
Molecular Weight
244.250000
Exact Mass
244.084792
InChI
InChI=1S/C13H12N2O3/c14-13-11(15(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8H,9,14H2
InChIKey
SLTIDGKIYKFTSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.28
TPSA
78.39

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.1
Consensus LogP
2.76
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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