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CAS 272778-12-8 (S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-((trimethylsilyl)oxy)phenyl)methyl)-5-((trimethylsilyl)oxy)pentanoyl)-4-phenyloxazolidin-2-one molecular structure lightbox
CAS RN: 272778-12-8

(S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-((trimethylsilyl)oxy)phenyl)methyl)-5-((trimethylsilyl)oxy)pentanoyl)-4-phenyloxazolidin-2-one

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250312 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250219 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260118 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251024 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260430 5g In stock Shanghai Inquiry
  • Product code: LINS890413
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272778-12-8 / (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

Standard CAS: 272778-12-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
272778-12-8
Multi CAS
Yes
Molecular Formula
C39F2H46N2O5Si2
Molecular Weight
717.000000
Exact Mass
716.291332
InChI
InChI=1S/C39H46F2N2O5Si2/c1-49(2,3)47-33-22-14-29(15-23-33)37(42-32-20-18-31(41)19-21-32)34(24-25-36(48-50(4,5)6)28-12-16-30(40)17-13-28)38(44)43-35(26-46-39(43)45)27-10-8-7-9-11-27/h7-23,34-37,42H,24-26H2,1-6H3/t34-,35-,36+,37-/m1/s1
InChIKey
XXMINDVVBVJXLN-GOFGAPPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
1
Molar refractivity
196.85
TPSA
77.1

LogP / Solubility

WLOGP
10.04
MLOGP
8.9
XLogP3
10.04
Consensus LogP
9.66
Log S (ESOL)
-10.04
Class (ESOL)
Insoluble
Log S (Ali)
-12.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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