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CAS 1020993-12-7 2-[(2,4-difluorophenyl)amino]ethan-1-ol molecular structure lightbox
CAS RN: 1020993-12-7

2-[(2,4-difluorophenyl)amino]ethan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1020993-12-7
  • Purity/Analytical Methods: >99.0%
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1020993-12-7 / 2-(2,4-difluoroanilino)ethanol

2-[(2,4-difluorophenyl)amino]ethan-1-ol | 2-(2,4-difluoroanilino)ethanol | MFCD11153579

Standard CAS: 1020993-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020993-12-7
Multi CAS
No
Molecular Formula
C8H9F2NO
Molecular Weight
173.160000
Exact Mass
173.065220
SMILES
C1=CC(=C(C=C1F)F)NCCO
InChI
InChI=1S/C8H9F2NO/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKey
RRESLJQYYBSQTG-UHFFFAOYSA-N
Synonyms
2-[(2,4-difluorophenyl)amino]ethan-1-ol 2-(2,4-difluoroanilino)ethanol MFCD11153579 SCHEMBL5225550 VQB99312

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.93
TPSA
32.26

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
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)
-2.8

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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