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CAS 1261793-35-4 2,4-Difluoro-6-hydroxybenzonitrile molecular structure lightbox
CAS RN: 1261793-35-4

2,4-Difluoro-6-hydroxybenzonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1261793-35-4
  • Purity/Analytical Methods: >99.0%
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1261793-35-4 / 2,4-difluoro-6-hydroxybenzonitrile

Standard CAS: 1261793-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261793-35-4
Multi CAS
No
Molecular Formula
C7H3F2NO
Molecular Weight
155.100000
Exact Mass
155.018270
SMILES
C1=C(C=C(C(=C1O)C#N)F)F
InChI
InChI=1S/C7H3F2NO/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2,11H
InChIKey
JFDPPOHMSFGSLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.74
TPSA
44.02

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
2
Consensus LogP
1.63
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.57

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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