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CAS 376584-30-4 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1(2H)-ISOQUINOLINONE molecular structure lightbox
CAS RN: 376584-30-4

3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1(2H)-ISOQUINOLINONE

  • Product code: SSC-145075
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ＞98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 376584-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞98% 5 In Stock Hong Kong Inquiry
0.25g ＞98% 5 In Stock Beijing Inquiry
1g ＞98% 5 In Stock Hong Kong Inquiry
5g ＞98% 2 In Stock Shenzhen Inquiry
10g ＞98% 1 In Stock Beijing Inquiry

376584-30-4 / 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one

Standard CAS: 376584-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
376584-30-4
Multi CAS
No
Molecular Formula
BC15H20NO3
Molecular Weight
273.140000
Exact Mass
273.153624
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-5-6-12-10(9-11)7-8-17-13(12)18/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKey
PNZDKWGVPHBMRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.2
TPSA
47.56

LogP / Solubility

WLOGP
1.27
MLOGP
1.13
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

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
1.5

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