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CAS 439090-73-0 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazole molecular structure lightbox
CAS RN: 439090-73-0

2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazole

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251123 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260619 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260503 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS439090-73-0
  • Purity/Analytical Methods: >99.0%
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439090-73-0 / 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole

Standard CAS: 439090-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
439090-73-0
Multi CAS
Yes
Molecular Formula
BC19H20NO3
Molecular Weight
321.200000
Exact Mass
321.153624
InChI
InChI=1S/C19H20BNO3/c1-18(2)19(3,4)24-20(23-18)14-11-9-13(10-12-14)17-21-15-7-5-6-8-16(15)22-17/h5-12H,1-4H3
InChIKey
BAEPPSMSKKCZGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
95.16
TPSA
44.49

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
3.79
Consensus LogP
3.64
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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