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CAS 1301205-62-8 (3-BROMONAPHTHALEN-2-YL)BORONIC ACID molecular structure lightbox
CAS RN: 1301205-62-8

(3-BROMONAPHTHALEN-2-YL)BORONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250507 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-036823
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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: 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 1301205-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1301205-62-8 / (3-bromonaphthalen-2-yl)boronic acid

Standard CAS: 1301205-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1301205-62-8
Multi CAS
No
Molecular Formula
C10H8BBrO2
Molecular Weight
250.890000
Exact Mass
249.980070
SMILES
B(C1=CC2=CC=CC=C2C=C1Br)(O)O
InChI
InChI=1S/C10H8BBrO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,13-14H
InChIKey
MEZCZWDLMIBKID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.47
TPSA
40.46

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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