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CAS 849062-07-3 2-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)& molecular structure lightbox
CAS RN: 849062-07-3

2-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)&

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 100mg In stock Shenzhen Inquiry
Batchno.20251218 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250213 1g In stock Shenzhen Inquiry
Batchno.20250612 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250125 5g Out of stock Inquiry
  • Product code: starshine_CAS849062-07-3
  • Purity/Analytical Methods: >99.0%
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849062-07-3 / [2-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid

Standard CAS: 849062-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849062-07-3
Multi CAS
No
Molecular Formula
BC14F3H12O4
Molecular Weight
312.050000
Exact Mass
312.078074
InChI
InChI=1S/C14H12BF3O4/c16-14(17,18)22-12-7-5-11(6-8-12)21-9-10-3-1-2-4-13(10)15(19)20/h1-8,19-20H,9H2
InChIKey
VVFYLZIEJWOSIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.72
TPSA
58.92

LogP / Solubility

WLOGP
1.84
MLOGP
1.64
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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