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CAS 849021-37-0 2-(1,3-BENZOXAZOL-2-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANONE molecular structure lightbox
CAS RN: 849021-37-0

2-(1,3-BENZOXAZOL-2-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANONE

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 5g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 1g Out of stock Inquiry
  • Product code: starshine_CAS849021-37-0
  • Purity/Analytical Methods: >99.0%
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849021-37-0 / 2-(1,3-benzoxazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

Standard CAS: 849021-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849021-37-0
Multi CAS
Yes
Molecular Formula
C16F3H10NO2
Molecular Weight
305.250000
Exact Mass
305.066363
InChI
InChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-4-10(8-11)13(21)9-15-20-12-6-1-2-7-14(12)22-15/h1-8H,9H2
InChIKey
DSCUBZCFWVJMGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.49
TPSA
43.1

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
4
Consensus LogP
4.01
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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