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CAS 1923846-52-9 (R)-3-((R)-2-((1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanoyl)-4-phenyloxazolidin-2-one molecular structure lightbox
CAS RN: 1923846-52-9

(R)-3-((R)-2-((1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanoyl)-4-phenyloxazolidin-2-one

  • Product code: SSC-090037
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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 1923846-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1923846-52-9 / (4R)-3-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Standard CAS: 1923846-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1923846-52-9
Multi CAS
No
Molecular Formula
C27H27FN2O3
Molecular Weight
446.500000
Exact Mass
446.200571
SMILES
C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)N4[C@@H](COC4=O)C5=CC=CC=C5
InChI
InChI=1S/C27H27FN2O3/c1-17(26(31)30-25(16-33-27(30)32)20-5-3-2-4-6-20)18-7-9-19(10-8-18)22-13-14-29-24-12-11-21(28)15-23(22)24/h2-6,11-15,17-19,25H,7-10,16H2,1H3/t17-,18?,19?,25+/m1/s1
InChIKey
RIOFDRQIIZOAOT-KFHVRLCOSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
122.94
TPSA
59.5

LogP / Solubility

WLOGP
6
MLOGP
5.31
XLogP3
6
Consensus LogP
5.77
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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