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CAS 856677-05-9 (5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE molecular structure lightbox
CAS RN: 856677-05-9

(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS856677-05-9
  • Purity/Analytical Methods: >99.0%
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856677-05-9 / N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Standard CAS: 856677-05-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
856677-05-9
Multi CAS
Yes
Molecular Formula
BC12H12N2O3Rf
Molecular Weight
331.140000
Exact Mass
330.001530
InChI
InChI=1S/C12H12BrFN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-10(13)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
InChIKey
SYSAYGFWQXJHBE-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.4
TPSA
58.64

LogP / Solubility

WLOGP
2.05
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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