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CAS 1311137-85-5 4-(3-Methoxy-4-methylphenoxy)aniline molecular structure lightbox
CAS RN: 1311137-85-5

4-(3-Methoxy-4-methylphenoxy)aniline

  • Product code: SSC-037789
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1311137-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry

1311137-85-5 / 4-(3-methoxy-4-methylphenoxy)aniline

Standard CAS: 1311137-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1311137-85-5
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
CC1=C(C=C(C=C1)OC2=CC=C(C=C2)N)OC
InChI
InChI=1S/C14H15NO2/c1-10-3-6-13(9-14(10)16-2)17-12-7-4-11(15)5-8-12/h3-9H,15H2,1-2H3
InChIKey
ZWNKYGOIBWUVFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.66
TPSA
44.48

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.72

Drug-likeness / Medicinal Chemistry

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

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