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CAS 765948-78-5 2,3-DIHYDRO-1H-ISOINDOL-1-ONE-4-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 765948-78-5

2,3-DIHYDRO-1H-ISOINDOL-1-ONE-4-BORONIC ACID PINACOL ESTER

  • Product code: SSC-186003
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 765948-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

765948-78-5 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one

Standard CAS: 765948-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
765948-78-5
Multi CAS
Yes
Molecular Formula
BC14H18NO3
Molecular Weight
259.110000
Exact Mass
259.137974
InChI
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-7-5-6-9-10(11)8-16-12(9)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKey
CXNFLUANJNYFBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.33
TPSA
47.56

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.23
Consensus LogP
1.18
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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