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CAS 851525-10-5 Boronic acid, B-6-benzofuranyl- molecular structure lightbox
CAS RN: 851525-10-5

Boronic acid, B-6-benzofuranyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg / 250mg / 1g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS851525-10-5
  • Purity/Analytical Methods: >99.0%
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851525-10-5 / 1-benzofuran-3-ylboronic acid

Standard CAS: 851525-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851525-10-5
Multi CAS
Yes
Molecular Formula
BC8H7O3
Molecular Weight
161.950000
Exact Mass
162.048824
InChI
InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKey
DFUGYZQSDFQVPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.04
TPSA
53.6

LogP / Solubility

WLOGP
0.11
MLOGP
0.09
XLogP3
0.11
Consensus LogP
0.1
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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
1.5

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