CAS RN: 77704-22-4

BORON-11B OXIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS77704-22-4
  • Purity/Analytical Methods: >99.0%
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77704-22-4 / oxo(oxo(11B)oxy)(11B)borane

Standard CAS: 77704-22-4 Multi CAS: Yes

Basic Information

CAS
77704-22-4
Multi CAS
Yes
Molecular Formula
B2O3
Molecular Weight
70.017000
Exact Mass
70.003354
InChI
InChI=1S/B2O3/c3-1-5-2-4/i1+0,2+0
InChIKey
JKWMSGQKBLHBQQ-ZCWHFVSRSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
13.97
TPSA
43.37

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.96
XLogP3
-1.07
Consensus LogP
-1.03
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
0.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.53
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

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

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