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CAS 227305-69-3 2,3-Dihydrobenzofuran-5-boronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 227305-69-3

2,3-Dihydrobenzofuran-5-boronic Acid (contains varying amounts of Anhydride)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-110823
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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, 5g
  • Available purity: ≥95%
  • 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 227305-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

227305-69-3 / 2,3-dihydro-1-benzofuran-5-ylboronic acid

Standard CAS: 227305-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227305-69-3
Multi CAS
No
Molecular Formula
C8H9BO3
Molecular Weight
163.970000
Exact Mass
164.064474
SMILES
B(C1=CC2=C(C=C1)OCC2)(O)O
InChI
InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2
InChIKey
ZIXLJHSFAMVHPC-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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