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CAS 1394839-94-1 5-CHLORO-4-FLUORO-2-METHOXYANILINE molecular structure lightbox
CAS RN: 1394839-94-1

5-CHLORO-4-FLUORO-2-METHOXYANILINE

  • Product code: SSC-050113
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1394839-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1394839-94-1 / 5-chloro-4-fluoro-2-methoxyaniline

Standard CAS: 1394839-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394839-94-1
Multi CAS
No
Molecular Formula
C7H7ClFNO
Molecular Weight
175.590000
Exact Mass
175.020020
SMILES
COC1=CC(=C(C=C1N)Cl)F
InChI
InChI=1S/C7H7ClFNO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKey
GUFGWDIXDGKQTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.37
TPSA
35.25

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.32

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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