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CAS 796071-96-0 4-(dibenzofuran-4-group) phenylboric acid molecular structure lightbox
CAS RN: 796071-96-0

4-(dibenzofuran-4-group) phenylboric acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS796071-96-0
  • Purity/Analytical Methods: >99.0%
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796071-96-0 / (4-dibenzofuran-4-ylphenyl)boronic acid

Standard CAS: 796071-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
796071-96-0
Multi CAS
No
Molecular Formula
BC18H13O3
Molecular Weight
288.100000
Exact Mass
288.095774
InChI
InChI=1S/C18H13BO3/c20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-11,20-21H
InChIKey
HTLGYFDJCNSTIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.98
TPSA
53.6

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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
3

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