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CAS 1141669-41-1 2-Fluoro-5-methylbenzene-1,4-diamine molecular structure lightbox
CAS RN: 1141669-41-1

2-Fluoro-5-methylbenzene-1,4-diamine

  • Product code: SSC-014030
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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, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • 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 1141669-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

1141669-41-1 / 2-fluoro-5-methylbenzene-1,4-diamine

2-FLUORO-5-METHYLBENZENE-1,4-DIAMINE | MFCD11656784 | 1,4-Benzenediamine, 2-fluoro-5-methyl-

Standard CAS: 1141669-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-41-1
Multi CAS
No
Molecular Formula
C7H9FN2
Molecular Weight
140.160000
Exact Mass
140.074976
SMILES
CC1=CC(=C(C=C1N)F)N
InChI
InChI=1S/C7H9FN2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,9-10H2,1H3
InChIKey
UKSAQEHNAPUAIQ-UHFFFAOYSA-N
Synonyms
2-FLUORO-5-METHYLBENZENE-1,4-DIAMINE MFCD11656784 1,4-Benzenediamine, 2-fluoro-5-methyl- 2-fluoro-5-methyl-1,4-Benzenediamine SCHEMBL28606707

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.96
TPSA
52.04

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.65

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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