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CAS 32795-85-0 o-(p-nitrophenoxy)anisole molecular structure lightbox
CAS RN: 32795-85-0

o-(p-nitrophenoxy)anisole

  • Product code: SSC-138483
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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: ＞97%
  • 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 32795-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

32795-85-0 / 1-methoxy-2-(4-nitrophenoxy)benzene

Standard CAS: 32795-85-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32795-85-0
Multi CAS
Yes
Molecular Formula
C13H11NO4
Molecular Weight
245.230000
Exact Mass
245.068808
InChI
InChI=1S/C13H11NO4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3
InChIKey
OOSBNKMKKNIQAN-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
Molar refractivity
66.16
TPSA
61.6

LogP / Solubility

WLOGP
3.4
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.03
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.8

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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