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CAS 170918-42-0 (R)-(-)-5,5-DIMETHYL-4-PHENYL-2-OXAZOLIDINONE molecular structure lightbox
CAS RN: 170918-42-0

(R)-(-)-5,5-DIMETHYL-4-PHENYL-2-OXAZOLIDINONE

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100mg In stock Shanghai Inquiry
Batchno.20260628 1g Out of stock Inquiry
Batchno.20251110 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS170918-42-0
  • Purity/Analytical Methods: >99.0%
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170918-42-0 / (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

Standard CAS: 170918-42-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170918-42-0
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
CC1([C@H](NC(=O)O1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m1/s1
InChIKey
HSQRCAULDOQKPF-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.88
TPSA
38.33

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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