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CAS 685514-61-8 2,3-DIHYDRO-1-BENZOFURAN-7-BORONIC ACID molecular structure lightbox
CAS RN: 685514-61-8

2,3-DIHYDRO-1-BENZOFURAN-7-BORONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-178287
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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: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 685514-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
0.1g ≥98% 1 In Stock Hong Kong Inquiry
0.25g ≥98% 1 In Stock Shanghai Inquiry
5g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

685514-61-8 / 2,3-dihydro-1-benzofuran-7-ylboronic acid

Standard CAS: 685514-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
685514-61-8
Multi CAS
No
Molecular Formula
BC8H9O3
Molecular Weight
163.970000
Exact Mass
164.064474
InChI
InChI=1S/C8H9BO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3,10-11H,4-5H2
InChIKey
JDOYUFYZFXCQJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.47
TPSA
49.69

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.62
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.22

Drug-likeness / Medicinal Chemistry

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

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