[email protected]
CAS 1352037-60-5 1,3-Dihydroisobenzofuran-5-boronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 1352037-60-5

1,3-Dihydroisobenzofuran-5-boronic Acid Pinacol Ester

  • Product code: SSC-043156
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: >98%
  • 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 1352037-60-5
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% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Beijing Inquiry

1352037-60-5 / 2-(1,3-dihydro-2-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1352037-60-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1352037-60-5
Multi CAS
No
Molecular Formula
C14H19BO3
Molecular Weight
246.110000
Exact Mass
246.142725
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COC3)C=C2
InChI
InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h5-7H,8-9H2,1-4H3
InChIKey
JHDYIHQRIANGLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
70.65
TPSA
27.69

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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