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CAS 1092790-21-0 Isoquinoline-7-boronic acid molecular structure lightbox
CAS RN: 1092790-21-0

Isoquinoline-7-boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010518
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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: 0.25g
  • 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 1092790-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1092790-21-0 / isoquinolin-7-ylboronic acid

Isoquinoline-7-boronic acid | RefChem:792325 | 640-741-2

Standard CAS: 1092790-21-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092790-21-0
Multi CAS
Yes
Molecular Formula
C9H8BNO2
Molecular Weight
172.980000
Exact Mass
173.064809
SMILES
B(C1=CC2=C(C=C1)C=CN=C2)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
InChIKey
SVSZHSMOMDNMLS-UHFFFAOYSA-N
Synonyms
Isoquinoline-7-boronic acid RefChem:792325 640-741-2 isoquinolin-7-ylboronic acid ISOQUINOLIN-7-YL-7-BORONIC ACID

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.57
TPSA
53.35

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.09
Consensus LogP
-0.09
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.84

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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