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CAS 343968-74-1 5-CHLORO-1-OXO-1-(4-TRIFLUOROMETHYLPHENYL)PENTANE molecular structure lightbox
CAS RN: 343968-74-1

5-CHLORO-1-OXO-1-(4-TRIFLUOROMETHYLPHENYL)PENTANE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS343968-74-1
  • Purity/Analytical Methods: >99.0%
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343968-74-1 / 5-chloro-1-[4-(trifluoromethyl)phenyl]pentan-1-one

Standard CAS: 343968-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343968-74-1
Multi CAS
No
Molecular Formula
C12H12CLF3O
Molecular Weight
264.670000
Exact Mass
264.052877
InChI
InChI=1S/C12H12ClF3O/c13-8-2-1-3-11(17)9-4-6-10(7-5-9)12(14,15)16/h4-7H,1-3,8H2
InChIKey
GMGVUMJAEIGGAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
60.35
TPSA
17.07

LogP / Solubility

WLOGP
4.3
MLOGP
3.79
XLogP3
3.7
Consensus LogP
3.93
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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