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CAS 1923846-50-7 trans-4-(6-Fluoro-4-quinolyl)cyclohexyl Methanesulfonate molecular structure lightbox
CAS RN: 1923846-50-7

trans-4-(6-Fluoro-4-quinolyl)cyclohexyl Methanesulfonate

  • Product code: SSC-090035
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1923846-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry

1923846-50-7 / [4-(6-fluoroquinolin-4-yl)cyclohexyl] methanesulfonate

Standard CAS: 1923846-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1923846-50-7
Multi CAS
No
Molecular Formula
C16H18FNO3S
Molecular Weight
323.400000
Exact Mass
323.099143
SMILES
CS(=O)(=O)OC1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F
InChI
InChI=1S/C16H18FNO3S/c1-22(19,20)21-13-5-2-11(3-6-13)14-8-9-18-16-7-4-12(17)10-15(14)16/h4,7-11,13H,2-3,5-6H2,1H3
InChIKey
UBVUUYOCDAGILF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
82.63
TPSA
56.26

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
3
Consensus LogP
3.12
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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