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CAS 192775-97-6 2-[1-(4-BROMOPHENYL)-1-METHYLETHYL]-4,4-DIMETHYL-4,5-DIHYDROOXAZOLINE molecular structure lightbox
CAS RN: 192775-97-6

2-[1-(4-BROMOPHENYL)-1-METHYLETHYL]-4,4-DIMETHYL-4,5-DIHYDROOXAZOLINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS192775-97-6
  • Purity/Analytical Methods: >99.0%
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192775-97-6 / 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Standard CAS: 192775-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192775-97-6
Multi CAS
No
Molecular Formula
C14H18BrNO
Molecular Weight
296.200000
Exact Mass
295.057180
SMILES
CC1(COC(=N1)C(C)(C)C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C14H18BrNO/c1-13(2)9-17-12(16-13)14(3,4)10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKey
GEFJHFNKORGOKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.63
TPSA
21.59

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3.6
Consensus LogP
3.67
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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