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CAS 77898-24-9 3-chloro-4-fluoro-N-methylaniline molecular structure lightbox
CAS RN: 77898-24-9

3-chloro-4-fluoro-N-methylaniline

  • Product code: SSC-187444
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 77898-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

77898-24-9 / 3-chloro-4-fluoro-N-methylaniline

Standard CAS: 77898-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77898-24-9
Multi CAS
No
Molecular Formula
C7H7CLFN
Molecular Weight
159.590000
Exact Mass
159.025105
InChI
InChI=1S/C7H7ClFN/c1-10-5-2-3-7(9)6(8)4-5/h2-4,10H,1H3
InChIKey
FGXNONLCHGSBJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.96
TPSA
12.03

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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