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CAS 1092350-38-3 3,5-Difluoro-2-methyl-phenylamine molecular structure lightbox
CAS RN: 1092350-38-3

3,5-Difluoro-2-methyl-phenylamine

  • Product code: SSC-010381
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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: ≥95%
  • 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 1092350-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1092350-38-3 / 3,5-difluoro-2-methylaniline

3,5-difluoro-2-methylaniline | Benzenamine, 3,5-difluoro-2-methyl- | 3,5-Difluoro-2-methyl-phenylamine

Standard CAS: 1092350-38-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1092350-38-3
Multi CAS
Yes
Molecular Formula
C7H7F2N
Molecular Weight
143.130000
Exact Mass
143.054656
SMILES
CC1=C(C=C(C=C1F)F)N
InChI
InChI=1S/C7H7F2N/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKey
FKRCKCKSZRUPHS-UHFFFAOYSA-N
Synonyms
3,5-difluoro-2-methylaniline Benzenamine, 3,5-difluoro-2-methyl- 3,5-Difluoro-2-methyl-phenylamine MFCD13191858 3,5-difluoro-2-methyl-benzenamine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.51
TPSA
26.02

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.28

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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