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CAS 428470-14-8 428470-14-8 molecular structure lightbox
CAS RN: 428470-14-8

428470-14-8

  • Product code: SSC-151120
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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 428470-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

428470-14-8 / N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

Standard CAS: 428470-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
428470-14-8
Multi CAS
No
Molecular Formula
C14H11CLF3NO2S
Molecular Weight
349.800000
Exact Mass
349.015112
InChI
InChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-13(15)12(8-10)14(16,17)18/h2-8,19H,1H3
InChIKey
GTMWJIGXWBDCCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.44
TPSA
46.17

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
4.3
Consensus LogP
4.24
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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