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CAS 1001907-58-9 2-METHYLINDAZOLE-7-BORONICACID molecular structure lightbox
CAS RN: 1001907-58-9

2-METHYLINDAZOLE-7-BORONICACID

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-000604
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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 1001907-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1001907-58-9 / (2-methylindazol-7-yl)boronic acid

(2-methyl-2H-indazol-7-yl)boronic acid | 2-METHYLINDAZOLE-7-BORONIC ACID | (2-methylindazol-7-yl)boronic acid

Standard CAS: 1001907-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001907-58-9
Multi CAS
No
Molecular Formula
C8H9BN2O2
Molecular Weight
175.980000
Exact Mass
176.075708
SMILES
B(C1=CC=CC2=CN(N=C12)C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5,12-13H,1H3
InChIKey
PNVSRHLDCRSFAZ-UHFFFAOYSA-N
Synonyms
(2-methyl-2H-indazol-7-yl)boronic acid 2-METHYLINDAZOLE-7-BORONIC ACID (2-methylindazol-7-yl)boronic acid MFCD09870058 2-METHYL-2H-INDAZOLE-7-BORONIC ACID

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.54
TPSA
58.28

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.66
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
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)
-4.32

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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