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CAS 1260750-70-6 1-(4-chloro-2-fluorophenyl)cyclopropane-1-carbonitrile molecular structure lightbox
CAS RN: 1260750-70-6

1-(4-chloro-2-fluorophenyl)cyclopropane-1-carbonitrile

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260223 1g Out of stock 5-7 business days Inquiry
Batchno.20250206 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1260750-70-6
  • Purity/Analytical Methods: >99.0%
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1260750-70-6 / 1-(4-chloro-2-fluorophenyl)cyclopropane-1-carbonitrile

Standard CAS: 1260750-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260750-70-6
Multi CAS
No
Molecular Formula
C10H7ClFN
Molecular Weight
195.620000
Exact Mass
195.025105
SMILES
C1CC1(C#N)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C10H7ClFN/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2
InChIKey
KVBGOFKRPWEPOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.94
TPSA
23.79

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.7
Consensus LogP
2.8
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-1.76

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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