[email protected]
CAS 1002309-19-4 2-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one molecular structure lightbox
CAS RN: 1002309-19-4

2-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-000653
GET A QUOTE
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: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1002309-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
10g >97% 3 In Stock Shenzhen Inquiry

1002309-19-4 / 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one | MFCD14706581 | 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one

Standard CAS: 1002309-19-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1002309-19-4
Multi CAS
No
Molecular Formula
C15H20BNO3
Molecular Weight
273.140000
Exact Mass
273.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3)C
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(8-11)9-17(5)13(12)18/h6-8H,9H2,1-5H3
InChIKey
SQEOPRRAMPXMMO-UHFFFAOYSA-N
Synonyms
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one MFCD14706581 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one 1H-Isoindol-1-one, 2,3-dihydro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-isoindol-1-one

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.96
TPSA
38.77

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.27

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us