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CAS 676578-20-4 2-indoleboronic acid molecular structure lightbox
CAS RN: 676578-20-4

2-indoleboronic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251207 1g In stock Chengdu Inquiry
Batchno.20260108 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260103 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS676578-20-4
  • Purity/Analytical Methods: >99.0%
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676578-20-4 / 2-anthracen-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 676578-20-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676578-20-4
Multi CAS
Yes
Molecular Formula
BC20H21O2
Molecular Weight
304.200000
Exact Mass
304.163460
InChI
InChI=1S/C20H21BO2/c1-19(2)20(3,4)23-21(22-19)18-10-9-16-11-14-7-5-6-8-15(14)12-17(16)13-18/h5-13H,1-4H3
InChIKey
PHGAEOZJPSSSIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
97.17
TPSA
18.46

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.29
Consensus LogP
4.12
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.53

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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