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CAS 1119899-37-4 7-cyanobenzo[b]thiophen-2-ylboronic acid molecular structure lightbox
CAS RN: 1119899-37-4

7-cyanobenzo[b]thiophen-2-ylboronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-012449
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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: ≥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 1119899-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1119899-37-4 / (7-cyano-1-benzothiophen-2-yl)boronic acid

RefChem:1077446 | B-(7-Cyanobenzo(b)thien-2-yl)boronic acid | (7-Cyanobenzo[b]thiophen-2-yl)boronic acid

Standard CAS: 1119899-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1119899-37-4
Multi CAS
No
Molecular Formula
C9H6BNO2S
Molecular Weight
203.030000
Exact Mass
203.021230
SMILES
B(C1=CC2=C(S1)C(=CC=C2)C#N)(O)O
InChI
InChI=1S/C9H6BNO2S/c11-5-7-3-1-2-6-4-8(10(12)13)14-9(6)7/h1-4,12-13H
InChIKey
AKOHCYHBCAFLGM-UHFFFAOYSA-N
Synonyms
RefChem:1077446 B-(7-Cyanobenzo(b)thien-2-yl)boronic acid (7-Cyanobenzo[b]thiophen-2-yl)boronic acid 7-cyanobenzo[b]thiophen-2-ylboronic acid (7-cyano-1-benzothiophen-2-yl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.37
TPSA
64.25

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.45
Consensus LogP
0.43
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.64

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

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