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CAS 110905-24-3 (R)-4-benzyl-3-(2-bromoacetyl)oxazolidin-2-one molecular structure lightbox
CAS RN: 110905-24-3

(R)-4-benzyl-3-(2-bromoacetyl)oxazolidin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS110905-24-3
  • Purity/Analytical Methods: >99.0%
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110905-24-3 / (4R)-4-benzyl-3-(2-bromoacetyl)-1,3-oxazolidin-2-one

SCHEMBL2888230 | VHZQCCUDZHVFMO-JTQLQIEISA-N | MFCD28663871

Standard CAS: 110905-24-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110905-24-3
Multi CAS
Yes
Molecular Formula
C12H12BrNO3
Molecular Weight
298.130000
Exact Mass
297.000060
SMILES
C1[C@H](N(C(=O)O1)C(=O)CBr)CC2=CC=CC=C2
InChI
InChI=1S/C12H12BrNO3/c13-7-11(15)14-10(8-17-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKey
VHZQCCUDZHVFMO-SNVBAGLBSA-N
Synonyms
SCHEMBL2888230 VHZQCCUDZHVFMO-JTQLQIEISA-N MFCD28663871 SY500032 (s)-4-benzyl-N-(bromoacetyl)-oxazolidinone

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.92
TPSA
46.61

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
2.5
Consensus LogP
2.07
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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